Geometry & MOs

Info

ID:	122849
PubChem CID:	50824396
Reduced:	SN3O4C22H31 (1)
Stoich.:	AB3C4D22E31 (1)
Weight, g/mol:	441.081698
ΔH_f, kcal/mol:	-183.9
Dipole, Da:	5.09
IP(EA), eV:	-8.8(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1,3-dimethyl-6-(4-methylphenyl)sulfonyl-2-oxobenzimidazol-5-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C(=C2)NC(=O)C3CCCCC3)S(=O)(=O)C4CCCCC4)N(C1=O)C

DOS

IR

Vibrations