Geometry & MOs

Info

ID:

86718

PubChem CID:

49888660

Reduced:

ClSN2O7H17C25 (1)

Stoich.:

ABC2D7E17F25 (1)

Weight, g/mol:

463.025677

ΔHf, kcal/mol:

-115.27

Dipole, Da:

3.03

IP(EA), eV:

 -9.21(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations