Geometry & MOs

Info

ID:	51288
PubChem CID:	12013933
Reduced:	N2O3H14C19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	318.100442
ΔH_f, kcal/mol:	16.66
Dipole, Da:	2.33
IP(EA), eV:	-8.88(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S)-3-(4-oxochromen-3-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1[C@@H](ON([C@@H]1C2=COC3=CC=CC=C3C2=O)C4=CC=CC=C4)C#N

DOS

IR

Vibrations