Geometry & MOs

Info

ID:	142596
PubChem CID:	53064073
Reduced:	SO3N4C21H24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	484.139211
ΔH_f, kcal/mol:	-63.39
Dipole, Da:	8.94
IP(EA), eV:	-8.96(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(dimethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2C=CC(=C3)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations