Geometry & MOs

Info

ID:

322432

PubChem CID:

126670137

Reduced:

ClOSN2C12H15 (1)

Stoich.:

ABCD2E12F15 (1)

Weight, g/mol:

498.290529

ΔHf, kcal/mol:

-28.31

Dipole, Da:

3.0

IP(EA), eV:

 -8.9(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 3-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CSN1C[C@@H](NC(=O)C1)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations