Geometry & MOs

Info

ID:	172908
PubChem CID:	75570377
Reduced:	BrN3O4H14C19 (1)
Stoich.:	AB3C4D14E19 (1)
Weight, g/mol:	479.002833
ΔH_f, kcal/mol:	-32.63
Dipole, Da:	7.38
IP(EA), eV:	-9.27(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)Br)OCC(=O)O

DOS

IR

Vibrations