Geometry & MOs

Info

ID:

433321

PubChem CID:

135173458

Reduced:

O5N6C45H48 (1)

Stoich.:

A5B6C45D48 (1)

Weight, g/mol:

813.286858

ΔHf, kcal/mol:

-65.31

Dipole, Da:

6.42

IP(EA), eV:

 -8.69(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3Z,5Z)-5-[5-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]-methylamino]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-1-yl]-4,6-difluorohepta-1,3,5-trien-3-yl]propane-1-sulfonamide

Drug info:

PubChemData

Smile

CCCC(C)N1C(=O)C2=C(C1=O)C(=CC=C2)N3CCN(CC3)CCCOCCOC4=CC=C(C=C4)N5C=C(C(=N5)C6=CC=NC=C6)C7=CC8=C(C=C7)C(=O)CC8

DOS

IR

Vibrations