Geometry & MOs

Info

ID:	405919
PubChem CID:	135075966
Reduced:	NSO7C12H13 (1)
Stoich.:	ABC7D12E13 (1)
Weight, g/mol:	243.134482
ΔH_f, kcal/mol:	-257.33
Dipole, Da:	3.72
IP(EA), eV:	-9.71(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-4-(1,3-dioxolan-2-yl)-1-hydroxy-1-[(2-methylpropan-2-yl)oxy]but-1-ene-2-diazonium

Drug info:

PubChemData

Smile

COC(=O)C1COS(=O)(=O)N1C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations