Geometry & MOs

Info

ID:	140748
PubChem CID:	52752413
Reduced:	FSN4O4H19C22 (1)
Stoich.:	ABC4D4E19F22 (1)
Weight, g/mol:	346.122989
ΔH_f, kcal/mol:	-113.99
Dipole, Da:	6.73
IP(EA), eV:	-8.51(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NC2=CC3=C(C=C2)N=C(N3)CC4=CC=CC=C4F

DOS

IR

Vibrations