Geometry & MOs

Info

ID:	230370
PubChem CID:	87570735
Reduced:	NOF6H9C15 (1)
Stoich.:	ABC6D9E15 (1)
Weight, g/mol:	434.031694
ΔH_f, kcal/mol:	-300.22
Dipole, Da:	3.12
IP(EA), eV:	-9.98(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-5-(trifluoromethylsulfonyloxymethyl)-1,4-dioxan-2-yl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C(=O)C2=CC=CC=C2C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations