Geometry & MOs

Info

ID:	228322
PubChem CID:	87563940
Reduced:	ClN2S2O3H7C11 (1)
Stoich.:	AB2C2D3E7F11 (1)
Weight, g/mol:	186.087866
ΔH_f, kcal/mol:	25.43
Dipole, Da:	8.39
IP(EA), eV:	-9.06(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z,3R)-3-(carboxyamino)-2-hydroxy-4-methylpent-1-ene-1-diazonium

Drug info:

PubChemData

Smile

C1=CN=CC(=C1SC2=C(C=C(S2)CC=O)[N+](=O)[O-])Cl

DOS

IR

Vibrations