Geometry & MOs

Info

ID:	386016
PubChem CID:	134980540
Reduced:	NO6C19H21 (1)
Stoich.:	AB6C19D21 (1)
Weight, g/mol:	359.136887
ΔH_f, kcal/mol:	-219.29
Dipole, Da:	6.66
IP(EA), eV:	-9.7(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1S,2R,3R)-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohex-4-ene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@H]1CC=C[C@@H]([C@@H]1C(=O)OC)N2[C@@H](COC2=O)C3=CC=CC=C3

DOS

IR

Vibrations