Geometry & MOs

Info

ID:

87567

PubChem CID:

49895558

Reduced:

SN2O6H24C27 (1)

Stoich.:

AB2C6D24E27 (1)

Weight, g/mol:

513.056835

ΔHf, kcal/mol:

-88.46

Dipole, Da:

3.6

IP(EA), eV:

 -8.82(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC(=C3)C)OCC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations