Geometry & MOs

Info

ID:	87707
PubChem CID:	49896681
Reduced:	SN3O3H13C16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	429.114713
ΔH_f, kcal/mol:	-54.46
Dipole, Da:	6.29
IP(EA), eV:	-8.8(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(3-methylphenyl)methyl]-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)NC(=O)CN2C(=O)/C(=C/C3=CC=CN3)/SC2=O

DOS

IR

Vibrations