Geometry & MOs

Info

ID:	188172
PubChem CID:	77677441
Reduced:	O2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	390.204239
ΔH_f, kcal/mol:	-122.38
Dipole, Da:	4.67
IP(EA), eV:	-9.86(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-acetyloxy-1-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid

Drug info:

PubChemData

Smile

CC12CCCC1C3CCC4CC(=O)C=C(C4(C3CC2)C)O

DOS

IR

Vibrations