Geometry & MOs

Info

ID:	87361
PubChem CID:	49894291
Reduced:	NS2O3H17C22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	557.00632
ΔH_f, kcal/mol:	-30.34
Dipole, Da:	0.94
IP(EA), eV:	-8.78(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(O3)SC4=CC=CC=C4)/SC2=O

DOS

IR

Vibrations