Geometry & MOs

Info

ID:	156448
PubChem CID:	56370670
Reduced:	SCl2N3O3H13C17 (1)
Stoich.:	AB2C3D3E13F17 (1)
Weight, g/mol:	409.005468
ΔH_f, kcal/mol:	-48.12
Dipole, Da:	7.66
IP(EA), eV:	-9.18(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(3-chloro-4-imidazol-1-ylphenyl)-5-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3C=CN=C3)Cl)Cl

DOS

IR

Vibrations