Geometry & MOs

Info

ID:	86616
PubChem CID:	49887638
Reduced:	BrClSN2O4H14C19 (1)
Stoich.:	ABCD2E4F14G19 (1)
Weight, g/mol:	533.002212
ΔH_f, kcal/mol:	-103.83
Dipole, Da:	3.04
IP(EA), eV:	-9.56(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-[(2,6-dichlorophenyl)methoxy]-4-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations