Geometry & MOs

Info

ID:

88505

PubChem CID:

49903943

Reduced:

SN3O9H15C20 (1)

Stoich.:

AB3C9D15E20 (1)

Weight, g/mol:

524.080885

ΔHf, kcal/mol:

-145.6

Dipole, Da:

7.27

IP(EA), eV:

 -9.51(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C(=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-])OC)[N+](=O)[O-]

DOS

IR

Vibrations