Geometry & MOs

Info

ID:	410961
PubChem CID:	135083765
Reduced:	SN2O4C7H12 (1)
Stoich.:	AB2C4D7E12 (1)
Weight, g/mol:	221.059603
ΔH_f, kcal/mol:	-127.79
Dipole, Da:	5.83
IP(EA), eV:	-9.95(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-1-ethoxy-1-hydroxy-4-methylsulfonylbut-1-ene-2-diazonium

Drug info:

PubChemData

Smile

CCO/C(=C(/CCS(=O)(=O)C)\[N+]#N)/[O-]

DOS

IR

Vibrations