Geometry & MOs

Info

ID:	71791
PubChem CID:	48415409
Reduced:	SO3N4C21H24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	345.104418
ΔH_f, kcal/mol:	-59.78
Dipole, Da:	6.81
IP(EA), eV:	-8.85(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-4-chloro-2-fluoro-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC(=CC=C3)N4CCCS4(=O)=O

DOS

IR

Vibrations