Geometry & MOs

Info

ID:	4017
PubChem CID:	10593
Reduced:	O4C21H34 (1)
Stoich.:	A4B21C34 (1)
Weight, g/mol:	350.24571
ΔH_f, kcal/mol:	-226.32
Dipole, Da:	6.27
IP(EA), eV:	-10.03(0.01)
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]-2-hydroxyethanone

Drug info:

PubChemData

Smile

CC12CCC(CC1CCC3C2CCC4(C3CC[C@@]4(C(=O)CO)O)C)O

DOS

IR

Vibrations