Geometry & MOs

Info

ID:	124035
PubChem CID:	50870328
Reduced:	BrFNS2O3H17C24 (1)
Stoich.:	ABCD2E3F17G24 (1)
Weight, g/mol:	400.047083
ΔH_f, kcal/mol:	-34.02
Dipole, Da:	2.68
IP(EA), eV:	-8.73(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-(3-chlorophenyl)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC(=CC=C3)F)OCC4=CC=C(C=C4)Br

DOS

IR

Vibrations