Geometry & MOs

Info

ID:

376024

PubChem CID:

134222024

Reduced:

F2P2O21C26H50 (1)

Stoich.:

A2B2C21D26E50 (1)

Weight, g/mol:

443.149047

ΔHf, kcal/mol:

-1206.58

Dipole, Da:

6.73

IP(EA), eV:

 -10.09(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-difluoro-N-[2-[(1S)-3-fluoro-1-[4-[6-(methylsulfonimidoyl)pyridin-3-yl]phenyl]propoxy]propan-2-yl]acetamide

Drug info:

PubChemData

Smile

CCCCCCOP(=O)(O)OCC(C(C(COC1C(C(C(O1)CO)OP(=O)(O)OCC(C(C(COC2C(C(C(O2)CO)O)F)O)O)O)F)O)O)O

DOS

IR

Vibrations