Geometry & MOs

Info

ID:	79192
PubChem CID:	49747333
Reduced:	SN3O4C22H31 (1)
Stoich.:	AB3C4D22E31 (1)
Weight, g/mol:	440.188212
ΔH_f, kcal/mol:	-129.93
Dipole, Da:	8.56
IP(EA), eV:	-9.29(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)CCC3=C(ON=C3C)C

DOS

IR

Vibrations