Geometry & MOs

Info

ID:

434661

PubChem CID:

135175448

Reduced:

SF2N3O5C38H41 (1)

Stoich.:

AB2C3D5E38F41 (1)

Weight, g/mol:

515.259563

ΔHf, kcal/mol:

-218.27

Dipole, Da:

6.65

IP(EA), eV:

 -8.91(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[3,3-difluoro-2-(methylamino)-3-(3-phenoxyphenyl)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

Drug info:

PubChemData

Smile

CN([C@H](C(=O)N1C2CCC1CC(C2)N)C(C3=CC(=CC=C3)OC4=CC=CC=C4)(F)F)S(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)OC7CCCC7

DOS

IR

Vibrations