Geometry & MOs

Info

ID:	271790
PubChem CID:	103691906
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	272.05972
ΔH_f, kcal/mol:	-112.51
Dipole, Da:	2.1
IP(EA), eV:	-9.32(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyano-3-fluorophenyl)-2,4-dihydroxybenzamide

Drug info:

PubChemData

Smile

C1CC1(CC#N)CSCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations