Geometry & MOs

Info

ID:

390867

PubChem CID:

135001344

Reduced:

C2N2S2O3H7 (1)

Stoich.:

A2B2C2D3E7 (1)

Weight, g/mol:

254.13068

ΔHf, kcal/mol:

-90.4

Dipole, Da:

4.17

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.769336

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-3-(4-methoxyphenyl)-2-(4-methylphenyl)prop-2-en-1-ol

Drug info:

PubChemData

Smile

CSC(=N)N.OS(=O)[O-]

DOS

IR

Vibrations