Geometry & MOs

Info

ID:	402522
PubChem CID:	135056280
Reduced:	ClN2O4H7C8 (1)
Stoich.:	AB2C4D7E8 (1)
Weight, g/mol:	300.20893
ΔH_f, kcal/mol:	-67.06
Dipole, Da:	7.68
IP(EA), eV:	-10.49(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,10R,13S,14S,17S)-10-ethyl-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1CN)Cl)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations