Geometry & MOs

Info

ID:	446099
PubChem CID:	135272363
Reduced:	N5O10C21H41 (1)
Stoich.:	A5B10C21D41 (1)
Weight, g/mol:	986.379696
ΔH_f, kcal/mol:	-464.07
Dipole, Da:	3.78
IP(EA), eV:	-9.54(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8R,8aS)-6-[[(9S)-12-[(2R)-2-acetyloxy-3-methyl-4,6-bis(phenylmethoxycarbonylamino)cyclohexyl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-7-yl]oxy]-2-oxo-4,4a,6,7,8,8a-hexahydro-1H-pyrano[3,2-d][1,3]oxazin-8-yl] benzoate

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

CNC1C(C2[C@H](CC(C(O2)OC3[C@@H](C(C(CC3N)N)O)O)N)OC1OC4C[C@H](C(C(O4)CO)N)O)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

CNC1C(C2[C@H](CC(C(O2)OC3[C@@H](C(C(CC3N)N)O)O)N)OC1OC4C[C@H](C(C(O4)CO)N)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):