Geometry & MOs

Info

ID:	193378
PubChem CID:	78385396
Reduced:	O5C15H18 (1)
Stoich.:	A5B15C18 (1)
Weight, g/mol:	472.35526
ΔH_f, kcal/mol:	-120.01
Dipole, Da:	0.52
IP(EA), eV:	-9.45(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-hydroxy-4-(hydroxymethyl)-4,9,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

Drug info:

PubChemData

Smile

CC(=CCCC1=C2C(CC3(C(C2=O)O3)CO)OC1=O)C

DOS

IR

Vibrations