Geometry & MOs

Info

ID:

87758

PubChem CID:

49897090

Reduced:

SCl2N4O4H16C24 (1)

Stoich.:

AB2C4D4E16F24 (1)

Weight, g/mol:

492.065904

ΔHf, kcal/mol:

-38.96

Dipole, Da:

7.95

IP(EA), eV:

 -8.84(-2.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5Z)-5-[[(3E)-3-[(2-chlorophenyl)hydrazinylidene]-6-oxocyclohexa-1,4-dien-1-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=C/C(=N/NC4=C(C=C(C=C4)Cl)Cl)/C=CC3=O)/SC2=O

DOS

IR

Vibrations