Geometry & MOs

Info

ID:	159984
PubChem CID:	57304297
Reduced:	SO3C17H24 (1)
Stoich.:	AB3C17D24 (1)
Weight, g/mol:	372.23006
ΔH_f, kcal/mol:	-129.51
Dipole, Da:	5.18
IP(EA), eV:	-10.16(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(8S,9R,10S,13R,14S)-2-hydroxy-1,10,13-trimethyl-6-methylidene-3-oxo-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC23CCC(C2)CC3

DOS

IR

Vibrations