Geometry & MOs

Info

ID:

433792

PubChem CID:

135173934

Reduced:

SN8O11C54H70 (1)

Stoich.:

AB8C11D54E70 (1)

Weight, g/mol:

823.354091

ΔHf, kcal/mol:

-256.58

Dipole, Da:

10.37

IP(EA), eV:

 -7.21(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCOCCOCCOCCCN4C(=C5C=CNC=C5)/C(=C\6/C=CC7=C(CCC7=C6)N=O)/C=N4)O

DOS

IR

Vibrations