Geometry & MOs

Info

ID:	139697
PubChem CID:	52581428
Reduced:	ClFN2O3H14C15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	405.114713
ΔH_f, kcal/mol:	-119.76
Dipole, Da:	5.63
IP(EA), eV:	-8.76(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyanophenyl)sulfanyl-N-[6-(2-methoxyethoxy)pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

COCCOC1=NC=C(C=C1)NC(=O)C2=C(C=CC=C2Cl)F

DOS

IR

Vibrations