Geometry & MOs

Info

ID:

87930

PubChem CID:

49898716

Reduced:

BrNSO4H20C32 (1)

Stoich.:

ABCD4E20F32 (1)

Weight, g/mol:

499.07574

ΔHf, kcal/mol:

-27.18

Dipole, Da:

4.21

IP(EA), eV:

 -8.87(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[(3E)-3-[(3-chlorophenyl)hydrazinylidene]-6-oxocyclohexa-1,4-dien-1-yl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)/C(=C/C4=CC(=C(C=C4)OC(=O)C5=CC=CC6=CC=CC=C65)Br)/SC3=O

DOS

IR

Vibrations