Geometry & MOs

Info

ID:	187939
PubChem CID:	77645715
Reduced:	O4C19H28 (1)
Stoich.:	A4B19C28 (1)
Weight, g/mol:	320.198759
ΔH_f, kcal/mol:	-211.71
Dipole, Da:	4.57
IP(EA), eV:	-9.61(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3-trihydroxy-10,13-dimethyl-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2=O)CC=C4C3(C(C(CC4)O)(O)O)C

DOS

IR

Vibrations