Geometry & MOs

Info

ID:	68838
PubChem CID:	46509195
Reduced:	ClSO3N4C21H23 (1)
Stoich.:	ABC3D4E21F23 (1)
Weight, g/mol:	391.171834
ΔH_f, kcal/mol:	-65.05
Dipole, Da:	4.93
IP(EA), eV:	-9.25(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCCC(C1)C2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations