Geometry & MOs

Info

ID:	51294
PubChem CID:	12013939
Reduced:	NO5H17C20 (1)
Stoich.:	AB5C17D20 (1)
Weight, g/mol:	379.141973
ΔH_f, kcal/mol:	-100.96
Dipole, Da:	2.6
IP(EA), eV:	-8.74(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S,4R,5S)-5-methyl-3-(4-oxochromen-3-yl)-2-phenyl-1,2-oxazolidine-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@H]1C[C@H](N(O1)C2=CC=CC=C2)C3=COC4=CC=CC=C4C3=O

DOS

IR

Vibrations