Geometry & MOs

Info

ID:	274713
PubChem CID:	103811219
Reduced:	ClOSN4H9C12 (1)
Stoich.:	ABCD4E9F12 (1)
Weight, g/mol:	295.05124
ΔH_f, kcal/mol:	55.74
Dipole, Da:	2.68
IP(EA), eV:	-9.67(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-cyanophenyl)-2-(4-cyanophenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)NC2=C(C=C(C=C2)C#N)Cl

DOS

IR

Vibrations