Geometry & MOs

Info

ID:	8804
PubChem CID:	81732
Reduced:	N3O5C11H13 (1)
Stoich.:	A3B5C11D13 (1)
Weight, g/mol:	267.085521
ΔH_f, kcal/mol:	-123.89
Dipole, Da:	8.08
IP(EA), eV:	-9.83(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-5-(4-nitroanilino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]

DOS

IR

Vibrations