Geometry & MOs

Info

ID:

88125

PubChem CID:

49901750

Reduced:

Cl2N2S2O7H14C23 (1)

Stoich.:

A2B2C2D7E14F23 (1)

Weight, g/mol:

447.009884

ΔHf, kcal/mol:

-124.74

Dipole, Da:

3.84

IP(EA), eV:

 -9.46(-2.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-[(3,4-dichlorophenyl)methyl]-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations