Geometry & MOs

Info

ID:	87709
PubChem CID:	49896691
Reduced:	BrNSO3H20C21 (1)
Stoich.:	ABCD3E20F21 (1)
Weight, g/mol:	463.125358
ΔH_f, kcal/mol:	-77.82
Dipole, Da:	4.44
IP(EA), eV:	-9.09(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)Br)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)C

DOS

IR

Vibrations