Geometry & MOs

Info

ID:

311259

PubChem CID:

126590090

Reduced:

SN6O13C61H70 (1)

Stoich.:

AB6C13D61E70 (1)

Weight, g/mol:

560.305036

ΔHf, kcal/mol:

-363.81

Dipole, Da:

15.01

IP(EA), eV:

 -8.2(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 2-[4-(7-azaspiro[3.5]nonan-7-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-(hydroxymethyl)-2-methylpyridin-3-yl]acetate

Drug info:

PubChemData

Smile

CC(C)(CN(CCOCCOCCOC)C1=CC(=CC(=C1)COC2=C(C=C3C(=C2)N=C[C@@H]4CC5=CC=CC=C5N4C3=O)OC)COC6=C(C=C7C(=C6)NC[C@@H]8CC9=CC=CC=C9N8C7=O)OC)SCCCC(=O)ON1C(CCC1=O)O

DOS

IR

Vibrations