Geometry & MOs

Info

ID:

425028

PubChem CID:

135124906

Reduced:

S2N5O5C27H31 (1)

Stoich.:

A2B5C5D27E31 (1)

Weight, g/mol:

477.234017

ΔHf, kcal/mol:

-97.85

Dipole, Da:

7.97

IP(EA), eV:

 -9.25(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-7-[(1-methylpiperidin-4-yl)amino]spiro[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(SC(=C3)[C@H](CC(=O)O)C4=C(C5=C(C=C4)N(N=N5)CC)C)C

DOS

IR

Vibrations