Geometry & MOs

Info

ID:	87369
PubChem CID:	49894330
Reduced:	BrFSN2O5H22C27 (1)
Stoich.:	ABCD2E5F22G27 (1)
Weight, g/mol:	402.98778
ΔH_f, kcal/mol:	-152.37
Dipole, Da:	8.78
IP(EA), eV:	-8.84(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)Br)OCC4=CC=C(C=C4)F

DOS

IR

Vibrations