Geometry & MOs

Info

ID:

424793

PubChem CID:

135123942

Reduced:

SO4N8C33H40 (1)

Stoich.:

AB4C8D33E40 (1)

Weight, g/mol:

464.202382

ΔHf, kcal/mol:

-36.9

Dipole, Da:

3.29

IP(EA), eV:

 -8.69(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-(2,4-difluorophenyl)pyrazol-3-yl]-7-(1-methylpiperidin-4-yl)oxyspiro[1H-indole-3,1'-cyclobutane]-2-one

Drug info:

PubChemData

Smile

CCC1CN(S(C2=C(O1)N=CC=C2)(O)O)CC3=C(C=CC(=C3)C(CC(=O)NCC4=NC=CN4)C5=C(C6=C(C=C5)N(N=N6)CC)C)C

DOS

IR

Vibrations