Geometry & MOs

Info

ID:	448891
PubChem CID:	135294340
Reduced:	OSN2C23H30 (1)
Stoich.:	ABC2D23E30 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-18.65
Dipole, Da:	3.34
IP(EA), eV:	-8.52(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,12aS)-7-(2-azidoacetyl)-2-hydroxy-4a,6a-dimethyl-2,3,4,4b,6,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-chrysen-5-one

Drug info:

PubChemData

Smile

CC1CC2CCC(C1)N2CC[C@@H](C3=CC=C(S3)C)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations