Geometry & MOs

Info

ID:

424586

PubChem CID:

135123240

Reduced:

SO4N8C33H34 (1)

Stoich.:

AB4C8D33E34 (1)

Weight, g/mol:

562.294391

ΔHf, kcal/mol:

8.97

Dipole, Da:

5.54

IP(EA), eV:

 -9.45(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1'-[(4-methoxyphenyl)methyl]-5'-(5-methyl-2-phenylpyrazol-3-yl)-7'-(1-methylpiperidin-4-yl)oxyspiro[cyclobutane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=C(O1)N=CC=C2)CC3=C(C=CC(=C3)/C(=C\C(=O)NC4=CN=CN=C4)/C5=C(C6=C(C=C5)N(N=N6)CC)C)C

DOS

IR

Vibrations