Geometry & MOs

Info

ID:

228580

PubChem CID:

87565342

Reduced:

NSO4C15H22 (1)

Stoich.:

ABC4D15E22 (1)

Weight, g/mol:

616.6463

ΔHf, kcal/mol:

-139.19

Dipole, Da:

4.45

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.758884

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O[N+]2(CCC(=O)CC2)C(C)C

DOS

IR

Vibrations