Geometry & MOs

Info

ID:	72231
PubChem CID:	48415950
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	357.131112
ΔH_f, kcal/mol:	-11.16
Dipole, Da:	4.47
IP(EA), eV:	-9.09(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-fluorophenyl)sulfanyl-N-methylacetamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C=CC(=N1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations