Geometry & MOs

Info

ID:

433388

PubChem CID:

135173525

Reduced:

O5N8H38C41 (1)

Stoich.:

A5B8C38D41 (1)

Weight, g/mol:

711.280532

ΔHf, kcal/mol:

-23.04

Dipole, Da:

5.17

IP(EA), eV:

 -8.72(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,6-dioxopiperidin-3-yl)-N-formyl-4-[2-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl-methylamino]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCN(CC2)C3=CC=C(C=C3)N4C=C(C(=N4)C5=CC=NC=C5)C6=CC7=C(C=C6)/C(=N/O)/CC7)C(=O)N(C=O)C8CCC(=O)NC8=O

DOS

IR

Vibrations