Geometry & MOs

Info

ID:	230336
PubChem CID:	87570674
Reduced:	NSO4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	442.054732
ΔH_f, kcal/mol:	-162.82
Dipole, Da:	9.94
IP(EA), eV:	-9.61(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(7Z)-3-(3,4-difluorophenyl)-6-oxo-7-(3H-1,3-thiazol-2-ylidene)quinoxaline-5-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC(=O)NC2

DOS

IR

Vibrations