Geometry & MOs

Info

ID:	137805
PubChem CID:	52264655
Reduced:	ClSO2N3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	303.101919
ΔH_f, kcal/mol:	-7.5
Dipole, Da:	2.45
IP(EA), eV:	-8.78(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[2-[(2-methoxypyridin-3-yl)amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)NC3=C(N=CC=C3)OC

DOS

IR

Vibrations