Geometry & MOs

Info

ID:	144054
PubChem CID:	53305234
Reduced:	NSO2F3H8C9 (2)
Stoich.:	ABC2D3E8F9 (2)
Weight, g/mol:	312.193674
ΔH_f, kcal/mol:	-398.74
Dipole, Da:	2.75
IP(EA), eV:	-9.84(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,6R)-2-hexoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1C(N(CC(N1S(=O)(=O)C(F)(F)F)C2=CC=CC=C2)S(=O)(=O)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations