Geometry & MOs

Info

ID:

310052

PubChem CID:

126573344

Reduced:

N3O5C26H37 (1)

Stoich.:

A3B5C26D37 (1)

Weight, g/mol:

512.306179

ΔHf, kcal/mol:

-141.07

Dipole, Da:

2.58

IP(EA), eV:

 -8.94(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC2CN(C2)C(=O)OC3CCC4(CO4)C(C3OC)[C@@]5([C@H](O5)CC=C(C)C)C

DOS

IR

Vibrations