Geometry & MOs

Info

ID:	176828
PubChem CID:	76102845
Reduced:	N3S3O12H35C41 (1)
Stoich.:	A3B3C12D35E41 (1)
Weight, g/mol:	257.959897
ΔH_f, kcal/mol:	-221.45
Dipole, Da:	5.37
IP(EA), eV:	-8.7(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dichloro-3-oxo-2H-quinoxaline-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)SC2C(C(=O)N2C(=C(C)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)COC6=CC=CC=C6

DOS

IR

Vibrations