Geometry & MOs

Info

ID:	62266
PubChem CID:	26718728
Reduced:	SCl3N3O3H8C12 (1)
Stoich.:	AB3C3D3E8F12 (1)
Weight, g/mol:	460.060818
ΔH_f, kcal/mol:	-72.5
Dipole, Da:	6.83
IP(EA), eV:	-9.68(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chlorophenyl)methylamino]-3-nitro-N-(4-sulfamoylphenyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)C2=NC=C(C(=C2Cl)Cl)Cl)S(=O)(=O)N

DOS

IR

Vibrations