Geometry & MOs

Info

ID:	322836
PubChem CID:	126671318
Reduced:	ClF2N2O3C20H25 (1)
Stoich.:	AB2C2D3E20F25 (1)
Weight, g/mol:	492.200474
ΔH_f, kcal/mol:	-238.45
Dipole, Da:	1.04
IP(EA), eV:	-9.7(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[5-(butoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxymethyl]-5,5-dimethyloxolan-2-yl]methyl trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C/C(=C(/CNC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)F)\F)/C2=CC(=CC=C2)Cl

DOS

IR

Vibrations