Geometry & MOs

Info

ID:	298558
PubChem CID:	117651089
Reduced:	PF2N3O9C20H23 (1)
Stoich.:	AB2C3D9E20F23 (1)
Weight, g/mol:	186.089209
ΔH_f, kcal/mol:	-435.76
Dipole, Da:	5.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760072
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2,2,5-trimethyl-1,3-dioxane-4,6-dione

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)N=P(=O)OC1=C(C=C(C=C1)F)OC[C@@H]2[C@H]([C@@](C(O2)N3C=CC(=O)NC3=O)(C)F)O

DOS

IR

Vibrations