Geometry & MOs

Info

ID:	153730
PubChem CID:	56313036
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	442.203862
ΔH_f, kcal/mol:	-18.01
Dipole, Da:	2.77
IP(EA), eV:	-9.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(3-phenylbutyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)C(=O)NCCC(C)C3=CC=CC=C3

DOS

IR

Vibrations