Geometry & MOs

Info

ID:	391535
PubChem CID:	135006348
Reduced:	BrNO4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	274.120509
ΔH_f, kcal/mol:	-145.87
Dipole, Da:	4.71
IP(EA), eV:	-9.97(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R,4R)-3-benzyl-4-methyl-2-oxo-3,4-dihydropyran-6-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC(=O)C1=CC(=CC=C1)Br)C(=O)OC

DOS

IR

Vibrations