Geometry & MOs

Info

ID:	425611
PubChem CID:	135126953
Reduced:	O5C23H30 (1)
Stoich.:	A5B23C30 (1)
Weight, g/mol:	330.219495
ΔH_f, kcal/mol:	-214.18
Dipole, Da:	2.12
IP(EA), eV:	-9.56(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-1-[(10S,13S,17S)-3-hydroxy-10,13-dimethyl-2,3,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)[C@]1(CCC2[C@@]1(CC=C3C2CCC4=CC(C=C[C@@]43C)O)C)O

DOS

IR

Vibrations