Geometry & MOs

Info

ID:	72213
PubChem CID:	48415930
Reduced:	OS2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	24.26
Dipole, Da:	3.17
IP(EA), eV:	-8.85(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-(methylsulfonylmethyl)benzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)C4SCCS4

DOS

IR

Vibrations