Geometry & MOs

Info

ID:	72296
PubChem CID:	48416016
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-31.96
Dipole, Da:	5.24
IP(EA), eV:	-8.98(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-propan-2-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CCCOC3=C(C=C(C=C3)C#N)OC

DOS

IR

Vibrations