Geometry & MOs

Info

ID:	194055
PubChem CID:	78473778
Reduced:	N2O3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	322.038533
ΔH_f, kcal/mol:	-111.32
Dipole, Da:	7.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756359
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenoxy]propanoate

Drug info:

PubChemData

Smile

CCN1C(=O)CC(C1=O)[NH+]2CCC(CC2)CCC3=CC=C(C=C3)OC

DOS

IR

Vibrations