Geometry & MOs

Info

ID:	171220
PubChem CID:	75344968
Reduced:	BrClNSO5H21C22 (1)
Stoich.:	ABCDE5F21G22 (1)
Weight, g/mol:	565.042057
ΔH_f, kcal/mol:	-145.94
Dipole, Da:	2.2
IP(EA), eV:	-8.72(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[3-[2-(2-chlorophenoxy)ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] naphthalene-2-sulfonate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CCOC3=CC=CC=C3Cl)Br)OCC

DOS

IR

Vibrations