Geometry & MOs

Info

ID:	36346
PubChem CID:	8002003
Reduced:	SF2N2O4H14C18 (1)
Stoich.:	AB2C2D4E14F18 (1)
Weight, g/mol:	351.092915
ΔH_f, kcal/mol:	-173.41
Dipole, Da:	3.97
IP(EA), eV:	-8.9(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylsulfanylanilino)-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NS(=O)(=O)C3=C(C=CC=C3F)F

DOS

IR

Vibrations