Geometry & MOs

Info

ID:	187636
PubChem CID:	77602011
Reduced:	O6C25H36 (1)
Stoich.:	A6B25C36 (1)
Weight, g/mol:	406.199153
ΔH_f, kcal/mol:	-237.79
Dipole, Da:	3.45
IP(EA), eV:	-8.96(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-17-methoxycarbonyloxy-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

CCCC1(CCC2C1(CCC3C2CCC4=CC(=O)C5(C(C34C)O)OCO5)C)C(=O)CO

DOS

IR

Vibrations