Geometry & MOs

Info

ID:	407207
PubChem CID:	135079563
Reduced:	ClNO2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	395.257277
ΔH_f, kcal/mol:	-41.36
Dipole, Da:	2.04
IP(EA), eV:	-9.58(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[(E)-1-[(10R,13S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethylideneamino]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C(C2=CC=C(C=C2)Cl)NC=O

DOS

IR

Vibrations