Geometry & MOs

Info

ID:	86537
PubChem CID:	49886817
Reduced:	SN3O3H21C25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	384.041607
ΔH_f, kcal/mol:	-0.15
Dipole, Da:	10.1
IP(EA), eV:	-8.72(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N/N=C/2\C=CC(=O)C(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4)C

DOS

IR

Vibrations