Geometry & MOs

Info

ID:	88149
PubChem CID:	49901878
Reduced:	BrClNSO3H11C17 (1)
Stoich.:	ABCDE3F11G17 (1)
Weight, g/mol:	482.99515
ΔH_f, kcal/mol:	-66.09
Dipole, Da:	1.63
IP(EA), eV:	-9.45(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations