Geometry & MOs

Info

ID:	122878
PubChem CID:	50825267
Reduced:	SO3N4C25H26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	445.120861
ΔH_f, kcal/mol:	-51.34
Dipole, Da:	6.14
IP(EA), eV:	-8.26(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(3-cyanophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=N3)C4=CC=C(C=C4)C(=O)NC)C)C

DOS

IR

Vibrations