Geometry & MOs

Info

ID:

124080

PubChem CID:

50872034

Reduced:

SN2O6H18C24 (1)

Stoich.:

AB2C6D18E24 (1)

Weight, g/mol:

546.053098

ΔHf, kcal/mol:

-60.36

Dipole, Da:

4.74

IP(EA), eV:

 -8.86(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5E)-5-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)S2)C3=CC=CC=C3)OCC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations