Geometry & MOs

Info

ID:	88154
PubChem CID:	49901887
Reduced:	ClNSBr2O3H10C17 (1)
Stoich.:	ABCD2E3F10G17 (1)
Weight, g/mol:	440.89927
ΔH_f, kcal/mol:	-60.09
Dipole, Da:	2.17
IP(EA), eV:	-9.54(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations