Geometry & MOs

Info

ID:	228409
PubChem CID:	87564291
Reduced:	BrNO4C7H10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	351.084869
ΔH_f, kcal/mol:	-166.91
Dipole, Da:	3.58
IP(EA), eV:	-10.14(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-[[(2R)-1-(carboxymethylamino)-3-nitrososulfanyl-1-oxopropan-2-yl]amino]-2-hydrazinyl-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1C[C@](NC1)(C(=O)OC(=O)CBr)O

DOS

IR

Vibrations