Geometry & MOs

Info

ID:	51291
PubChem CID:	12013936
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	379.141973
ΔH_f, kcal/mol:	-80.4
Dipole, Da:	2.38
IP(EA), eV:	-8.68(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations