Geometry & MOs

Info

ID:

433489

PubChem CID:

135173626

Reduced:

SN2O4C21H26 (1)

Stoich.:

AB2C4D21E26 (1)

Weight, g/mol:

752.307081

ΔHf, kcal/mol:

-87.93

Dipole, Da:

6.79

IP(EA), eV:

 -8.41(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-hydroxy-5-[4-[2-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CS(=O)N1CCC(CC1)COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3

DOS

IR

Vibrations