Geometry & MOs

Info

ID:	124102
PubChem CID:	50872754
Reduced:	FON3H20C26 (1)
Stoich.:	ABC3D20E26 (1)
Weight, g/mol:	592.89528
ΔH_f, kcal/mol:	53.59
Dipole, Da:	6.81
IP(EA), eV:	-8.38(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC\1=NN(C(=O)/C1=C/C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4F)C5=CC=CC=C5

DOS

IR

Vibrations