Geometry & MOs

Info

ID:	122843
PubChem CID:	50823987
Reduced:	SO3N4C23H30 (1)
Stoich.:	AB3C4D23E30 (1)
Weight, g/mol:	457.178376
ΔH_f, kcal/mol:	-72.75
Dipole, Da:	10.09
IP(EA), eV:	-8.94(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4-acetamidophenyl)sulfonyl-methylamino]methyl]-1-methyl-N-propan-2-ylbenzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=NC3=C(N2CC)C=CC(=C3)C(=O)N(C)C

DOS

IR

Vibrations