Geometry & MOs

Info

ID:	131420
PubChem CID:	51202770
Reduced:	ClN3O3H16C17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	361.058421
ΔH_f, kcal/mol:	-8.6
Dipole, Da:	4.46
IP(EA), eV:	-8.67(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2,4-difluorophenyl)sulfanylmethyl]-2-oxochromen-7-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=NOC(=N2)CNC3=CC=CC=C3Cl)OC

DOS

IR

Vibrations