Geometry & MOs

Info

ID:	86676
PubChem CID:	49888423
Reduced:	ClNSO5H20C26 (1)
Stoich.:	ABCD5E20F26 (1)
Weight, g/mol:	529.042057
ΔH_f, kcal/mol:	-120.01
Dipole, Da:	4.01
IP(EA), eV:	-8.99(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenyl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations