Geometry & MOs

Info

ID:	161486
PubChem CID:	57391787
Reduced:	N3O5C33H47 (1)
Stoich.:	A3B5C33D47 (1)
Weight, g/mol:	776.40954
ΔH_f, kcal/mol:	-182.7
Dipole, Da:	6.46
IP(EA), eV:	-8.68(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(prop-2-ynyl)amino]oxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl] 2-(2-nitrophenyl)acetate

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

CCC(C)(C)/C=C/C1=NC(=C(O1)C)CCOC2=CC3=C(C[C@H](N(C3)C(=O)/C=C/C=C/C)C(=O)O)C=C2.CC(C)(C)N

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

CCC(C)(C)/C=C/C1=NC(=C(O1)C)CCOC2=CC3=C(C[C@H](N(C3)C(=O)/C=C/C=C/C)C(=O)O)C=C2.CC(C)(C)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):