Geometry & MOs

Info

ID:

433742

PubChem CID:

135173883

Reduced:

SF2O5N7C32H41 (1)

Stoich.:

AB2C5D7E32F41 (1)

Weight, g/mol:

749.296182

ΔHf, kcal/mol:

-178.23

Dipole, Da:

2.62

IP(EA), eV:

 -8.67(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-[3-[3-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]azetidin-1-yl]azetidin-1-yl]benzamide

Drug info:

PubChemData

Smile

CCCS(=O)NC1=C(C(=C(C=C1)F)N2C=C(C3=C2C=CC(=N3)N(C)C4CCN(CC4)CCOCCOCC(=O)O)C5CN=CN=C5)F

DOS

IR

Vibrations