Geometry & MOs

Info

ID:	4370
PubChem CID:	11299
Reduced:	O3C22H36 (1)
Stoich.:	A3B22C36 (1)
Weight, g/mol:	348.266445
ΔH_f, kcal/mol:	-191.97
Dipole, Da:	3.97
IP(EA), eV:	-9.65(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)[C@]1(CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O

DOS

IR

Vibrations