Geometry & MOs

Info

ID:	382333
PubChem CID:	134973416
Reduced:	N2O6C15H18 (1)
Stoich.:	A2B6C15D18 (1)
Weight, g/mol:	468.0476
ΔH_f, kcal/mol:	-124.98
Dipole, Da:	1.92
IP(EA), eV:	-9.89(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-6-(furan-2-yl)-4-oxo-2-[(1S)-1-phenylselanylethyl]-2,3-dihydropyran-3-yl] benzoate

Drug info:

PubChemData

Smile

CC=NC1[C@@H](OC2COC(O[C@H]2C1O)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations