Geometry & MOs

Info

ID:	87798
PubChem CID:	49897453
Reduced:	SN2O5H18C20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	470.114772
ΔH_f, kcal/mol:	-143.48
Dipole, Da:	9.02
IP(EA), eV:	-8.77(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetate

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1O)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations