Geometry & MOs

Info

ID:

375759

PubChem CID:

134221749

Reduced:

PF2O19C99H105 (1)

Stoich.:

AB2C19D99E105 (1)

Weight, g/mol:

415.117747

ΔHf, kcal/mol:

-688.16

Dipole, Da:

3.38

IP(EA), eV:

 -8.55(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R,2S)-1-[4-[6-(N,S-dimethylsulfonimidoyl)pyridin-3-yl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide

Drug info:

PubChemData

Smile

CC(=O)CCC(=O)OC1C(OC(C1F)OCC(C(C(COP(OCC2=CC=CC=C2)OC3C(OC(C3F)OCC(C(C(COCC4=CC5=CC=CC=C5C=C4)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)COCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1

DOS

IR

Vibrations