Geometry & MOs

Info

ID:

434948

PubChem CID:

135176046

Reduced:

ClFON4C24H26 (1)

Stoich.:

ABCD4E24F26 (1)

Weight, g/mol:

664.287942

ΔHf, kcal/mol:

-4.96

Dipole, Da:

13.16

IP(EA), eV:

 -7.52(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-3-(3-amino-8-bicyclo[3.2.1]octanyl)-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-2-[4-(cyclohexylmethoxy)phenyl]-2-hydroxyacetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NNC(=C3C2=C/C(=C/4\C(=O)C=CC=C4F)/C(=C3)Cl)C5CCNCC5

DOS

IR

Vibrations