Geometry & MOs

Info

ID:	88271
PubChem CID:	49902710
Reduced:	BrNSCl2O3H16C24 (1)
Stoich.:	ABCD2E3F16G24 (1)
Weight, g/mol:	576.9517
ΔH_f, kcal/mol:	-43.16
Dipole, Da:	6.13
IP(EA), eV:	-9.21(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC4=CC(=C(C=C4)Cl)Cl)/SC2=O)Br

DOS

IR

Vibrations