Geometry & MOs

Info

ID:	179210
PubChem CID:	76451680
Reduced:	O4C11H14 (2)
Stoich.:	A4B11C14 (2)
Weight, g/mol:	279.052506
ΔH_f, kcal/mol:	-347.08
Dipole, Da:	3.89
IP(EA), eV:	-10.0(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[(1-carboxy-2-nitrososulfanylethyl)amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCCC(C1=CC=CC=C1C(=O)OC2COC3C2OCC3OC(=O)C)OC(=O)C

DOS

IR

Vibrations