Geometry & MOs

Info

ID:	230209
PubChem CID:	87570423
Reduced:	FeNO2C3H7 (1)
Stoich.:	ABC2D3E7 (1)
Weight, g/mol:	434.104876
ΔH_f, kcal/mol:	52.77
Dipole, Da:	5.88
IP(EA), eV:	-5.98(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(7Z)-6-oxo-3-phenyl-7-(3H-1,3-thiazol-2-ylidene)quinoxaline-5-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

CNCC(=O)O.[Fe]

DOS

IR

Vibrations