Geometry & MOs

Info

ID:	79190
PubChem CID:	49747325
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	426.172562
ΔH_f, kcal/mol:	-130.78
Dipole, Da:	4.0
IP(EA), eV:	-9.23(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C3=C(N=CC=C3)OC

DOS

IR

Vibrations