Geometry & MOs

Info

ID:

433476

PubChem CID:

135173613

Reduced:

N5O7H37C46 (1)

Stoich.:

A5B7C37D46 (1)

Weight, g/mol:

820.19825

ΔHf, kcal/mol:

-109.02

Dipole, Da:

13.57

IP(EA), eV:

 -8.96(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[4-[3-[(3Z)-4-aminobuta-1,3-dien-2-yl]-4-[(1E)-1-iodoimino-2,3-dihydroinden-5-yl]pyrazol-1-yl]phenyl]piperazin-1-yl]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)C4=CC(=CC=C4)OCCCCOC5=CC=C(C=C5)N6C=C(C(=N6)C7=CC=NC=C7)C8=CC9=C(C=C8)C(=O)CC9

DOS

IR

Vibrations