Geometry & MOs

Info

ID:

426110

PubChem CID:

135138943

Reduced:

ClO3N5C34H52 (1)

Stoich.:

AB3C5D34E52 (1)

Weight, g/mol:

486.207862

ΔHf, kcal/mol:

-88.0

Dipole, Da:

5.76

IP(EA), eV:

 -7.98(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(3-fluorooxetan-3-yl)-6-[5-[[[2-(2-fluoropropan-2-yl)pyridin-4-yl]-hydroxymethyl]amino]-2-methylpyridin-3-yl]pyridin-2-yl]oxyethanol

Drug info:

PubChemData

Smile

CCN(/C=C(/CCC(C1=CC(=C(C=C1)Cl)CN(CC=O)CC(C)(C)CN(C)C)C(C)(C)C(=O)OCC2=CC=CC=C2)\N)N

DOS

IR

Vibrations