Geometry & MOs

Info

ID:	88285
PubChem CID:	49902742
Reduced:	BrNSO3H20C28 (1)
Stoich.:	ABCD3E20F28 (1)
Weight, g/mol:	549.06094
ΔH_f, kcal/mol:	-8.93
Dipole, Da:	4.31
IP(EA), eV:	-9.0(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[(3-methoxy-4-phenylmethoxy-5-prop-2-enylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2COC3=CC=CC=C3/C=C\4/C(=O)N(C(=O)S4)CC5=CC=C(C=C5)Br

DOS

IR

Vibrations