Geometry & MOs

Info

ID:	71917
PubChem CID:	48415615
Reduced:	SO2N4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	371.103669
ΔH_f, kcal/mol:	-43.49
Dipole, Da:	2.04
IP(EA), eV:	-8.94(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-7-chloro-N-methyl-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=O)N1CC(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations