Geometry & MOs

Info

ID:	402244
PubChem CID:	135055189
Reduced:	O3C10H11 (2)
Stoich.:	A3B10C11 (2)
Weight, g/mol:	374.118795
ΔH_f, kcal/mol:	-208.1
Dipole, Da:	1.46
IP(EA), eV:	-9.4(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(1R)-3-oxo-1-phenyl-3-thiophen-2-ylpropyl]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C([C@@H](CC(=O)C1=CC=CC=C1)C2=CC=CO2)C(=O)OCC

DOS

IR

Vibrations