Geometry & MOs

Info

ID:	68988
PubChem CID:	46514799
Reduced:	SN2O6C25H32 (1)
Stoich.:	AB2C6D25E32 (1)
Weight, g/mol:	400.156912
ΔH_f, kcal/mol:	-226.39
Dipole, Da:	4.88
IP(EA), eV:	-9.32(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(ethylsulfamoyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)C(=O)OC)OC)C

DOS

IR

Vibrations