Geometry & MOs

Info

ID:	71980
PubChem CID:	48415681
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	400.156912
ΔH_f, kcal/mol:	-70.97
Dipole, Da:	4.91
IP(EA), eV:	-8.55(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-4-(dimethylsulfamoyl)-N-methylbenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2)OCC

DOS

IR

Vibrations