Geometry & MOs

Info

ID:	396598
PubChem CID:	135028818
Reduced:	NF3O3C15H16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	444.16066
ΔH_f, kcal/mol:	-259.29
Dipole, Da:	4.86
IP(EA), eV:	-9.15(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6S,8aR)-6-ethylsulfanyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] acetate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(N(CC2)C(=O)OC)/C=C/C(F)(F)F

DOS

IR

Vibrations