Geometry & MOs

Info

ID:	87017
PubChem CID:	49890594
Reduced:	NSCl2O3H13C18 (1)
Stoich.:	ABC2D3E13F18 (1)
Weight, g/mol:	530.93073
ΔH_f, kcal/mol:	-78.02
Dipole, Da:	3.97
IP(EA), eV:	-9.26(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxy-6-iodophenyl] benzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC2=C(C=C(C=C2Cl)/C=C\3/C(=O)NC(=O)S3)Cl

DOS

IR

Vibrations