Geometry & MOs

Info

ID:	88259
PubChem CID:	49902679
Reduced:	BrNSCl2O2H10C17 (1)
Stoich.:	ABCD2E2F10G17 (1)
Weight, g/mol:	388.97213
ΔH_f, kcal/mol:	-31.92
Dipole, Da:	2.08
IP(EA), eV:	-9.67(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=C(C=C(C=C3)Cl)Cl)/SC2=O)Br

DOS

IR

Vibrations