Geometry & MOs

Info

ID:	124103
PubChem CID:	50872758
Reduced:	FNBr2O2S2H16C24 (1)
Stoich.:	ABC2D2E2F16G24 (1)
Weight, g/mol:	592.89528
ΔH_f, kcal/mol:	-3.56
Dipole, Da:	2.28
IP(EA), eV:	-9.18(-1.71)
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-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=O)/C(=C\C3=CC(=C(C(=C3)Br)OCC4=CC=C(C=C4)F)Br)/SC2=S

DOS

IR

Vibrations