Geometry & MOs

Info

ID:

310057

PubChem CID:

126573387

Reduced:

N3O6C23H37 (1)

Stoich.:

A3B6C23D37 (1)

Weight, g/mol:

458.241687

ΔHf, kcal/mol:

-207.81

Dipole, Da:

2.69

IP(EA), eV:

 -9.26(0.34)

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-pyridin-2-yloxyazetidine-1-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)N4CC(C4)NC(=O)N(C)C)OC)C

DOS

IR

Vibrations