Geometry & MOs

Info

ID:	8833
PubChem CID:	82121
Reduced:	N3O8H9C10 (1)
Stoich.:	A3B8C9D10 (1)
Weight, g/mol:	299.038964
ΔH_f, kcal/mol:	-163.6
Dipole, Da:	5.25
IP(EA), eV:	-10.44(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2,4-dinitroanilino)butanedioic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N[C@@H](CC(=O)O)C(=O)O

DOS

IR

Vibrations