Geometry & MOs

Info

ID:

425031

PubChem CID:

135124914

Reduced:

SF3O5N6C28H29 (1)

Stoich.:

AB3C5D6E28F29 (1)

Weight, g/mol:

655.249392

ΔHf, kcal/mol:

-201.15

Dipole, Da:

7.42

IP(EA), eV:

 -8.39(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CN(S(C2=CC=CC=C2O1)(O)O)CC3=CC(=CC=C3)N4C(=C(C=N4)C(=O)O)C5CC5C6=CN(N=N6)CC(F)(F)F

DOS

IR

Vibrations