Geometry & MOs

Info

ID:	165984
PubChem CID:	74621493
Reduced:	N2O2C25H33 (1)
Stoich.:	A2B2C25D33 (1)
Weight, g/mol:	436.238236
ΔH_f, kcal/mol:	-42.28
Dipole, Da:	5.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751894
Charge, e:	1

Chem-info

IUPAC name:

3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(2-pyrrolidin-1-ium-1-ylbutyl)propanamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C(=O)NC2CC3(CC[NH+](CC3)C)OC4=CC=CC=C24

DOS

IR

Vibrations