Geometry & MOs

Info

ID:

434775

PubChem CID:

135175693

Reduced:

SF2N3O5C40H51 (1)

Stoich.:

AB2C3D5E40F51 (1)

Weight, g/mol:

707.356835

ΔHf, kcal/mol:

-267.47

Dipole, Da:

13.63

IP(EA), eV:

 -8.95(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-(3-amino-8-bicyclo[3.2.1]octanyl)-1,1-difluoro-3-oxo-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-yl]-6-cyclopentyloxy-N-methylnaphthalene-2-sulfinamide

Drug info:

PubChemData

Smile

CN(C(C(=O)C1C2CCC1CC(C2)N)C(C3=CC=C(C=C3)OCCN4CCCCC4)(F)F)S(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)OC7CCCC7

DOS

IR

Vibrations