Geometry & MOs

Info

ID:	88270
PubChem CID:	49902708
Reduced:	BrNSO3H14C18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	546.94113
ΔH_f, kcal/mol:	-41.82
Dipole, Da:	3.15
IP(EA), eV:	-9.07(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CO1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations