Geometry & MOs

Info

ID:

376661

PubChem CID:

134222684

Reduced:

N2S2H40C59 (1)

Stoich.:

A2B2C40D59 (1)

Weight, g/mol:

273.063506

ΔHf, kcal/mol:

250.09

Dipole, Da:

1.31

IP(EA), eV:

 -8.02(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-3-(3,5-difluoro-4-methylphenyl)-N-[dimethyl(oxo)-lambda6-sulfanylidene]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C(=C1)N(C3=CC=CC=C3)C4=CC=CC(=C4)C5=CC=CC6=C5SC7=CC=CC=C67)N(C8=CC=CC=C8)C9=CC=CC(=C9)C1=CC=CC2=C1SC1=CC=CC=C21

DOS

IR

Vibrations