Geometry & MOs

Info

ID:	68837
PubChem CID:	46509194
Reduced:	Cl2O2N3H19C20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	446.117939
ΔH_f, kcal/mol:	-32.22
Dipole, Da:	1.5
IP(EA), eV:	-9.03(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)COC2=C(C=C(C=C2)Cl)Cl)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations