Geometry & MOs

Info

ID:

444502

PubChem CID:

135262668

Reduced:

BrN2O2F3H18C19 (1)

Stoich.:

AB2C2D3E18F19 (1)

Weight, g/mol:

544.271942

ΔHf, kcal/mol:

-179.58

Dipole, Da:

1.92

IP(EA), eV:

 -9.07(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R)-1-[6-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-2-methylpyrimidin-4-yl]-5-methyl-6-[1-(2-methylsulfonylethyl)piperidin-4-yl]-2,3-dihydroinden-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1C[C@@H]1C2=CC(=CN=C2)NCC3=CC(=C(C=C3)C(F)(F)F)Br

DOS

IR

Vibrations