Geometry & MOs

Info

ID:	51309
PubChem CID:	12013955
Reduced:	NO4C23H25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	332.116092
ΔH_f, kcal/mol:	-87.82
Dipole, Da:	5.08
IP(EA), eV:	-8.54(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R)-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)OCC(C)C

DOS

IR

Vibrations