Geometry & MOs

Info

ID:	166774
PubChem CID:	74732469
Reduced:	NO4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	442.096048
ΔH_f, kcal/mol:	-128.87
Dipole, Da:	5.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.841697
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-[[2,4-dioxo-3-(2-phenoxyethyl)-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]acetate

Drug info:

PubChemData

Smile

C1CCC(=C(C1)C(=O)NCC2CCCO2)C(=O)[O-]

DOS

IR

Vibrations