Geometry & MOs

Info

ID:	124058
PubChem CID:	50871405
Reduced:	FN2O5H17C24 (1)
Stoich.:	AB2C5D17E24 (1)
Weight, g/mol:	482.991643
ΔH_f, kcal/mol:	-113.53
Dipole, Da:	3.14
IP(EA), eV:	-8.94(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5E)-5-[[4-(4-fluorophenyl)sulfonyloxy-3-methoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/2\C(=O)NN(C2=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4F

DOS

IR

Vibrations