Geometry & MOs

Info

ID:	51295
PubChem CID:	12013940
Reduced:	NO5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	335.115758
ΔH_f, kcal/mol:	-118.45
Dipole, Da:	4.07
IP(EA), eV:	-8.76(-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]chromen-4-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H](ON([C@@H]1C2=COC3=CC=CC=C3C2=O)C4=CC=CC=C4)C

DOS

IR

Vibrations