Geometry & MOs

Info

ID:	55838
PubChem CID:	17396639
Reduced:	ClFNO3H15C17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	313.077265
ΔH_f, kcal/mol:	-135.49
Dipole, Da:	3.19
IP(EA), eV:	-9.24(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfanylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)Cl)F)OC2=CC=C(C=C2)C(=O)C

DOS

IR

Vibrations