Geometry & MOs

Info

ID:	907
PubChem CID:	3513
Reduced:	ClN3O6H10C17 (1)
Stoich.:	AB3C6D10E17 (1)
Weight, g/mol:	387.025813
ΔH_f, kcal/mol:	-104.85
Dipole, Da:	4.4
IP(EA), eV:	-9.48(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[[4-(3-nitrophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=O)NC2=O)NC3=CC(=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations