Geometry & MOs

Info

ID:	124042
PubChem CID:	50870858
Reduced:	ClNS2O3H18C24 (1)
Stoich.:	ABC2D3E18F24 (1)
Weight, g/mol:	462.97116
ΔH_f, kcal/mol:	-0.43
Dipole, Da:	6.01
IP(EA), eV:	-8.7(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations