Geometry & MOs

Info

ID:

86536

PubChem CID:

49886804

Reduced:

SN2O6H22C26 (1)

Stoich.:

AB2C6D22E26 (1)

Weight, g/mol:

443.130363

ΔHf, kcal/mol:

-75.26

Dipole, Da:

3.54

IP(EA), eV:

 -8.8(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[[(3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-6-oxocyclohexa-1,4-dien-1-yl]methylidene]-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)OCC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations