Geometry & MOs

Info

ID:	171246
PubChem CID:	75349368
Reduced:	ClNSO8H16C24 (1)
Stoich.:	ABCD8E16F24 (1)
Weight, g/mol:	527.060564
ΔH_f, kcal/mol:	-235.06
Dipole, Da:	5.41
IP(EA), eV:	-9.07(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[3-[2-(4-chlorophenoxy)ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 3-fluorobenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCCN2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC(=C4)C(=O)O)C(=O)O)SC2=O)Cl

DOS

IR

Vibrations