Geometry & MOs

Info

ID:

433319

PubChem CID:

135173456

Reduced:

SF3O4N7C36H40 (1)

Stoich.:

AB3C4D7E36F40 (1)

Weight, g/mol:

771.338047

ΔHf, kcal/mol:

-188.14

Dipole, Da:

8.28

IP(EA), eV:

 -8.09(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[2-[2-[4-[3-[(E)-but-2-en-2-yl]-4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]pyrazol-1-yl]phenoxy]ethoxy]ethyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)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)NS(=O)N7CCC(C7)F)F)N=C4)CC(=O)O

DOS

IR

Vibrations