Geometry & MOs

Info

ID:	68374
PubChem CID:	46508291
Reduced:	ClFN2O4H14C18 (1)
Stoich.:	ABC2D4E14F18 (1)
Weight, g/mol:	398.085577
ΔH_f, kcal/mol:	-106.82
Dipole, Da:	3.89
IP(EA), eV:	-9.44(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloropyridin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)COC2=CC=C(C=C2)C(=O)OCC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations