Geometry & MOs

Info

ID:

434194

PubChem CID:

135174374

Reduced:

FSP2N10O11C21H27 (1)

Stoich.:

ABC2D10E11F21G27 (1)

Weight, g/mol:

499.248249

ΔHf, kcal/mol:

-524.62

Dipole, Da:

14.05

IP(EA), eV:

 -9.2(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(4R,5S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)piperidin-3-yl]-5-fluoropiperidin-4-yl]oxy-2-methyl-1,3-dihydroisoindol-1-ol

Drug info:

PubChemData

Smile

C1[C@@H]([C@@](OC1N2C=NC3=C(N=CN=C32)N)(CO)COP(=S)(O)O)OP(=O)(O)OCC4C(CC(O4)N5C=NC6=C5NC(=NC6=O)N)F

DOS

IR

Vibrations