Geometry & MOs

Info

ID:	207505
PubChem CID:	80406406
Reduced:	ClN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	323.989089
ΔH_f, kcal/mol:	-103.34
Dipole, Da:	7.56
IP(EA), eV:	-9.7(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-carbamothioyl-2-chlorophenyl)-2-chlorobenzamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)NC1=C(C=CC(=C1)C#N)Cl

DOS

IR

Vibrations