Geometry & MOs

Info

ID:	389952
PubChem CID:	134996216
Reduced:	F2O4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	282.02554
ΔH_f, kcal/mol:	-295.26
Dipole, Da:	3.34
IP(EA), eV:	-10.23(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-5-bromo-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran

Drug info:

PubChemData

Smile

C[C@@H]1C(=C(F)F)C[C@H]([C@H](O1)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations