Geometry & MOs

Info

ID:	51313
PubChem CID:	12013959
Reduced:	NO5H19C21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	349.131408
ΔH_f, kcal/mol:	-110.23
Dipole, Da:	2.7
IP(EA), eV:	-8.83(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S,5R)-5-acetyl-2-phenyl-1,2-oxazolidin-3-yl]-6-methylchromen-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations