Geometry & MOs

Info

ID:	87255
PubChem CID:	49893459
Reduced:	BrClSN2O6H18C26 (1)
Stoich.:	ABCD2E6F18G26 (1)
Weight, g/mol:	479.095807
ΔH_f, kcal/mol:	-143.48
Dipole, Da:	6.16
IP(EA), eV:	-8.94(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)Br)OC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations