Geometry & MOs

Info

ID:

424643

PubChem CID:

135123466

Reduced:

SN4O7C32H36 (1)

Stoich.:

AB4C7D32E36 (1)

Weight, g/mol:

570.244247

ΔHf, kcal/mol:

-193.74

Dipole, Da:

1.56

IP(EA), eV:

 -9.53(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(N=N1)CO[C@H](C2=CC(=C(C=C2)C)CN(CC3=CC(=CC=C3)C(=O)O)S(=O)(=O)C4=CC=CC=C4)C(C)(C)C(=O)O

DOS

IR

Vibrations