Geometry & MOs

Info

ID:

440157

PubChem CID:

135230066

Reduced:

F4N7O11C55H59 (1)

Stoich.:

A4B7C11D55E59 (1)

Weight, g/mol:

391.283492

ΔHf, kcal/mol:

-611.33

Dipole, Da:

6.73

IP(EA), eV:

 -9.4(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-methyl-2-[8-methyl-2-(5-methyl-4-oxa-7-azaspiro[2.5]octan-8-yl)-4-oxa-7-azaspiro[2.5]octan-5-yl]-5-oxa-8-azaspiro[3.5]nonane

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=O)N1C)C)C2=CC=C(C=C2)C[C@@H](C(O)O)NC(=O)C3=C(C=C(C=C3F)CN(CC4=CC(=C(C(=C4)F)C(=O)N[C@@H](CC5=CC=C(C=C5)C6=C(N(C(=O)N(C6=O)C)C)C)C(=O)O)F)C(=O)CCC(C)(C)C)F

DOS

IR

Vibrations