Geometry & MOs

Info

ID:

407285

PubChem CID:

135079750

Reduced:

SN2O3C20H25 (1)

Stoich.:

AB2C3D20E25 (1)

Weight, g/mol:

388.167459

ΔHf, kcal/mol:

-75.7

Dipole, Da:

5.4

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.758082

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)/C(=C(/CCC2(C=CCC=C2)C)\O)/[N+]#N)C

DOS

IR

Vibrations