Geometry & MOs

Info

ID:	225235
PubChem CID:	85752763
Reduced:	O2Cl3N3H4C7 (1)
Stoich.:	A2B3C3D4E7 (1)
Weight, g/mol:	420.32396
ΔH_f, kcal/mol:	-4.4
Dipole, Da:	1.85
IP(EA), eV:	-10.35(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[12-hydroxy-17-(5-hydroxypentan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Cl)[N+](=NC(=O)N)[O-])Cl)Cl

DOS

IR

Vibrations