Geometry & MOs

Info

ID:	124043
PubChem CID:	50870859
Reduced:	BrFNO2S2H15C20 (1)
Stoich.:	ABCD2E2F15G20 (1)
Weight, g/mol:	616.95165
ΔH_f, kcal/mol:	-16.17
Dipole, Da:	4.97
IP(EA), eV:	-8.89(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-cyclohexyl-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C=CCN1C(=O)/C(=C\C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3F)/SC1=S

DOS

IR

Vibrations