Geometry & MOs

Info

ID:	84759
PubChem CID:	49869723
Reduced:	ClSiN3O7C37H62 (1)
Stoich.:	ABC3D7E37F62 (1)
Weight, g/mol:	874.551453
ΔH_f, kcal/mol:	-370.73
Dipole, Da:	1.99
IP(EA), eV:	-8.81(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4R,6R)-6-[[(1R,2R,5R,6S,7S,8R,9R,11R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-1,5,7,9,11,13,14-heptamethyl-4,17-dioxo-3,16,18-trioxa-13-azabicyclo[13.3.0]octadecan-6-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] N-(propan-2-ylamino)carbamate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H](/C=C(\C)/C=C\C=C/C(=O)N[C@H](C(=O)N/C=C\C[C@H](C/C=C(\C)/Cl)OC(=O)N)C(C)(C)C)[C@H](C/C=C(\CO[Si](C)(C)C(C)(C)C)/OC)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H](/C=C(\C)/C=C\C=C/C(=O)N[C@H](C(=O)N/C=C\C[C@H](C/C=C(\C)/Cl)OC(=O)N)C(C)(C)C)[C@H](C/C=C(\CO[Si](C)(C)C(C)(C)C)/OC)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):