Geometry & MOs

Info

ID:

87677

PubChem CID:

49896470

Reduced:

NSO6H25C28 (1)

Stoich.:

ABC6D25E28 (1)

Weight, g/mol:

493.111457

ΔHf, kcal/mol:

-161.74

Dipole, Da:

5.64

IP(EA), eV:

 -8.82(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[3-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-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=C(C=C3)C)OC(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations