Geometry & MOs

Info

ID:	86569
PubChem CID:	49887197
Reduced:	SN2O5H18C24 (1)
Stoich.:	AB2C5D18E24 (1)
Weight, g/mol:	415.099063
ΔH_f, kcal/mol:	-34.38
Dipole, Da:	5.07
IP(EA), eV:	-9.34(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[[(3E)-6-oxo-3-(phenylhydrazinylidene)cyclohexa-1,4-dien-1-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations