Geometry & MOs

Info

ID:	87423
PubChem CID:	49894564
Reduced:	BrNSO4C22H22 (1)
Stoich.:	ABCD4E22F22 (1)
Weight, g/mol:	386.99286
ΔH_f, kcal/mol:	-112.94
Dipole, Da:	4.43
IP(EA), eV:	-8.86(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)C)Br)OCC

DOS

IR

Vibrations