Geometry & MOs

Info

ID:	54579
PubChem CID:	17388933
Reduced:	SN2O2H18C23 (1)
Stoich.:	AB2C2D18E23 (1)
Weight, g/mol:	345.029349
ΔH_f, kcal/mol:	31.43
Dipole, Da:	5.43
IP(EA), eV:	-8.92(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CC(=C(C=C2)O)/C=C/3\C(=O)N=C(S3)NC4=CC=CC=C4

DOS

IR

Vibrations