Geometry & MOs

Info

ID:	26879
PubChem CID:	801229
Reduced:	OSN2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	328.04955
ΔH_f, kcal/mol:	-24.5
Dipole, Da:	2.99
IP(EA), eV:	-8.97(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-6-nitro-2-oxochromene-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=O)[C@H](NC2=S)CC3=CC=CC=C3

DOS

IR

Vibrations