Geometry & MOs

Info

ID:

49902

PubChem CID:

11534220

Reduced:

O5H10C16 (2)

Stoich.:

A5B10C16 (2)

Weight, g/mol:

564.261567

ΔHf, kcal/mol:

-269.98

Dipole, Da:

4.32

IP(EA), eV:

 -8.79(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[5-chloro-2-[2-methoxy-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]amino]-2-methyl-3H-isoindol-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(C(=O)O2)C(C3=CC=C(C=C3)O)C4=C(OC5=CC=CC=C5C4=O)O)OC(=O)C6=CC(=C(C=C6)O)O

DOS

IR

Vibrations