Geometry & MOs

Info

ID:	88468
PubChem CID:	49903638
Reduced:	BrS2N3O8H18C25 (1)
Stoich.:	AB2C3D8E18F25 (1)
Weight, g/mol:	354.067428
ΔH_f, kcal/mol:	-159.5
Dipole, Da:	14.08
IP(EA), eV:	-9.16(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2-methylphenyl)methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4[N+](=O)[O-])Br

DOS

IR

Vibrations