Geometry & MOs

Info

ID:	51287
PubChem CID:	12013932
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	318.100442
ΔH_f, kcal/mol:	-82.33
Dipole, Da:	3.6
IP(EA), eV:	-8.51(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CO[C@H]1C[C@H](N(O1)C2=CC=CC=C2)C3=COC4=CC=CC=C4C3=O

DOS

IR

Vibrations