Geometry & MOs

Info

ID:	87412
PubChem CID:	49894517
Reduced:	ClSN2O7H17C21 (1)
Stoich.:	ABC2D7E17F21 (1)
Weight, g/mol:	581.99577
ΔH_f, kcal/mol:	-219.48
Dipole, Da:	2.64
IP(EA), eV:	-9.01(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxy-6-iodophenoxy]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)Cl)OCC(=O)O

DOS

IR

Vibrations