Geometry & MOs

Info

ID:	122806
PubChem CID:	50822403
Reduced:	SN2O4C24H30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	497.246061
ΔH_f, kcal/mol:	-127.74
Dipole, Da:	4.06
IP(EA), eV:	-8.82(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N,1-trimethyl-2-[[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3(CC3)C(=O)NC4CCCCC4

DOS

IR

Vibrations