Geometry & MOs

Info

ID:

410960

PubChem CID:

135083764

Reduced:

N2O2C8H15 (1)

Stoich.:

A2B2C8D15 (1)

Weight, g/mol:

220.051778

ΔHf, kcal/mol:

-46.85

Dipole, Da:

2.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.862746

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-2-diazonio-1-ethoxy-4-methylsulfonylbut-1-en-1-olate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations