Geometry & MOs

Info

ID:	51310
PubChem CID:	12013956
Reduced:	N2O3H16C20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	332.116092
ΔH_f, kcal/mol:	7.17
Dipole, Da:	2.6
IP(EA), eV:	-9.08(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S)-3-(6-methyl-4-oxochromen-3-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC=C(C2=O)[C@@H]3C[C@@H](ON3C4=CC=CC=C4)C#N

DOS

IR

Vibrations