Geometry & MOs

Info

ID:	51304
PubChem CID:	12013950
Reduced:	NO4H17C20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	369.076786
ΔH_f, kcal/mol:	-64.48
Dipole, Da:	3.45
IP(EA), eV:	-8.79(-0.95)
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-chlorochromen-4-one

Drug info:

PubChemData

Smile

C1CO[C@@H]2[C@H]1[C@H](N(O2)C3=CC=CC=C3)C4=COC5=CC=CC=C5C4=O

DOS

IR

Vibrations