Geometry & MOs

Info

ID:

433413

PubChem CID:

135173550

Reduced:

O5N7H41C42 (1)

Stoich.:

A5B7C41D42 (1)

Weight, g/mol:

767.343132

ΔHf, kcal/mol:

-41.67

Dipole, Da:

6.27

IP(EA), eV:

 -8.57(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[2-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperazin-1-yl]benzamide

Drug info:

PubChemData

Smile

CNC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)OCCCCN3CCN(CC3)C4=CC=C(C=C4)N5C=C(C(=N5)C6=CC=NC=C6)C7=CC8=C(C=C7)C(=O)CC8

DOS

IR

Vibrations