Geometry & MOs

Info

ID:

434690

PubChem CID:

135175485

Reduced:

SF2N2O5C36H42 (1)

Stoich.:

AB2C2D5E36F42 (1)

Weight, g/mol:

501.243913

ΔHf, kcal/mol:

-245.03

Dipole, Da:

8.75

IP(EA), eV:

 -9.2(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=C(C=C2)S(=O)(=O)N[C@H](C(=O)C3C4CCC3CC(C4)N)C(C5=CC(=CC=C5)OC6=CC=CC=C6)(F)F

DOS

IR

Vibrations