Geometry & MOs

Info

ID:

433448

PubChem CID:

135173585

Reduced:

SF3O3N7C36H40 (1)

Stoich.:

AB3C3D7E36F40 (1)

Weight, g/mol:

697.253648

ΔHf, kcal/mol:

-153.45

Dipole, Da:

6.99

IP(EA), eV:

 -8.16(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]pyrazol-1-yl]phenoxy]ethoxy]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CN(CCC1CN2CCN(CC2)C3=CC=C(C=C3)C4=CC5=C(NC=C5C(=O)C6=C(C=CC(=C6F)NSN7CCC(C7)F)F)N=C4)CC(=O)O

DOS

IR

Vibrations