Geometry & MOs

Info

ID:	88180
PubChem CID:	49902197
Reduced:	BrNSO3H22C25 (1)
Stoich.:	ABCD3E22F25 (1)
Weight, g/mol:	417.00343
ΔH_f, kcal/mol:	-53.3
Dipole, Da:	6.32
IP(EA), eV:	-8.83(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=C(C2=CC=CC=C2C=C1)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations