Geometry & MOs

Info

ID:

406475

PubChem CID:

135077726

Reduced:

ClON2F5H12C16 (1)

Stoich.:

ABC2D5E12F16 (1)

Weight, g/mol:

350.085781

ΔHf, kcal/mol:

-252.62

Dipole, Da:

7.11

IP(EA), eV:

 -9.8(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

O-[(3aS,6R,6aR)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] methylsulfanylmethanethioate

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](C2=CC=CC=C21)NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F)[NH3+].[Cl-]

DOS

IR

Vibrations