Geometry & MOs

Info

ID:	4016
PubChem CID:	10590
Reduced:	O4C21H34 (1)
Stoich.:	A4B21C34 (1)
Weight, g/mol:	350.24571
ΔH_f, kcal/mol:	-226.24
Dipole, Da:	7.67
IP(EA), eV:	-9.88(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethanone

Drug info:

PubChemData

Smile

CC12CCC(CC1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O)O

DOS

IR

Vibrations