Geometry & MOs

Info

ID:

36981

PubChem CID:

8015660

Reduced:

SF2N2O3H18C21 (1)

Stoich.:

AB2C2D3E18F21 (1)

Weight, g/mol:

406.259348

ΔHf, kcal/mol:

-149.38

Dipole, Da:

2.57

IP(EA), eV:

 -8.62(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

ethyl 1-[[(1R,3R,4R,5S,8R,10R,14S)-10,14-dimethyl-6-oxo-2,7-dioxatetracyclo[8.4.0.01,3.04,8]tetradecan-5-yl]methyl]piperidin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)F)C

DOS

IR

Vibrations