Geometry & MOs

Info

ID:	156755
PubChem CID:	56374226
Reduced:	ClNS2O6C16H16 (1)
Stoich.:	ABC2D6E16F16 (1)
Weight, g/mol:	436.120526
ΔH_f, kcal/mol:	-199.15
Dipole, Da:	4.48
IP(EA), eV:	-9.27(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-4-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC=CS1)NS(=O)(=O)C2=C(C=C(C=C2)C(=O)OC)Cl

DOS

IR

Vibrations