Geometry & MOs

Info

ID:	139537
PubChem CID:	52551593
Reduced:	NCl2O3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	399.026682
ΔH_f, kcal/mol:	-84.12
Dipole, Da:	0.67
IP(EA), eV:	-9.36(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-cyanophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

Drug info:

PubChemData

Smile

CCONC(=O)COC1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations