Geometry & MOs

Info

ID:	86573
PubChem CID:	49887215
Reduced:	SN2O6H16C19 (1)
Stoich.:	AB2C6D16E19 (1)
Weight, g/mol:	388.97213
ΔH_f, kcal/mol:	-106.49
Dipole, Da:	5.76
IP(EA), eV:	-9.6(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[(5-bromo-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1O)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations