Geometry & MOs

Info

ID:	398799
PubChem CID:	135035463
Reduced:	OSN2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	396.160456
ΔH_f, kcal/mol:	50.77
Dipole, Da:	4.78
IP(EA), eV:	-9.04(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,4R)-4-benzamido-3-(2-chloropropan-2-yl)cyclohex-2-en-1-yl]benzamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(C1=O)(CSC#N)C3=CC=CC=C3

DOS

IR

Vibrations