Geometry & MOs

Info

ID:	138509
PubChem CID:	52377079
Reduced:	N2O7C20H20 (1)
Stoich.:	A2B7C20D20 (1)
Weight, g/mol:	254.048704
ΔH_f, kcal/mol:	-192.22
Dipole, Da:	6.81
IP(EA), eV:	-8.89(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S,4S)-2-(2-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C2=N/C(=C\C3=CC(=C(C(=C3)OC)OCC(=O)N)OC)/C(=O)O2

DOS

IR

Vibrations