Geometry & MOs

Info

ID:	171255
PubChem CID:	75349890
Reduced:	ClNSO4H22C29 (1)
Stoich.:	ABCD4E22F29 (1)
Weight, g/mol:	571.062314
ΔH_f, kcal/mol:	-59.54
Dipole, Da:	4.41
IP(EA), eV:	-8.43(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-6-ethoxy-4-[[3-[2-(4-methylphenoxy)ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2OCCN3C(=O)C(=CC4=CC(=CC=C4)OCC5=CC=C(C=C5)Cl)SC3=O

DOS

IR

Vibrations