Geometry & MOs

Info

ID:	72300
PubChem CID:	48416020
Reduced:	SO3N4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	357.165269
ΔH_f, kcal/mol:	-37.97
Dipole, Da:	7.39
IP(EA), eV:	-9.16(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-difluorophenyl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CS(=O)(=O)CC3=CC=C(C=C3)C#N

DOS

IR

Vibrations