Geometry & MOs

Info

ID:	10361
PubChem CID:	101111
Reduced:	N3O7C13H15 (1)
Stoich.:	A3B7C13D15 (1)
Weight, g/mol:	325.091
ΔH_f, kcal/mol:	-127.68
Dipole, Da:	4.68
IP(EA), eV:	-10.76(-2.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3,5-dinitrobenzoyl)amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations