Geometry & MOs

Info

ID:

311392

PubChem CID:

126591285

Reduced:

N2O7C27H42 (1)

Stoich.:

A2B7C27D42 (1)

Weight, g/mol:

484.274879

ΔHf, kcal/mol:

-282.49

Dipole, Da:

8.11

IP(EA), eV:

 -9.09(0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (3aS,6aR)-2-(2,2-difluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate

Drug info:

PubChemData

Smile

CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)N4C[C@H]5CC(C[C@H]5C4)OC(=O)N(C)C)OC)C

DOS

IR

Vibrations