Geometry & MOs

Info

ID:	339860
PubChem CID:	127261869
Reduced:	NO4C28H55 (1)
Stoich.:	AB4C28D55 (1)
Weight, g/mol:	296.064451
ΔH_f, kcal/mol:	-292.12
Dipole, Da:	2.24
IP(EA), eV:	-10.07(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(Z)-(5-methyl-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(CCC)OC(=O)C[C@@H](C(=O)OCC(CC)CCCC)N

DOS

IR

Vibrations