Geometry & MOs

Info

ID:

425665

PubChem CID:

135127264

Reduced:

SO4N8C33H34 (1)

Stoich.:

AB4C8D33E34 (1)

Weight, g/mol:

472.247441

ΔHf, kcal/mol:

16.48

Dipole, Da:

7.49

IP(EA), eV:

 -9.49(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(5-ethoxy-1-phenylpyrazol-3-yl)-7-(1-methylpiperidin-4-yl)oxyspiro[1H-indole-3,1'-cyclobutane]-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=NC=C4)/C5=C(C6=C(C=C5)N(N=N6)CC)C)C

DOS

IR

Vibrations