Geometry & MOs

Info

ID:

434706

PubChem CID:

135175538

Reduced:

N3F4O4H25C26 (1)

Stoich.:

A3B4C4D25E26 (1)

Weight, g/mol:

685.251891

ΔHf, kcal/mol:

-289.69

Dipole, Da:

4.63

IP(EA), eV:

 -8.73(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-2-(6-cyclopentyloxynaphthalen-2-yl)-2-oxoacetamide

Drug info:

PubChemData

Smile

CC[C@H](C)N1C=C(C=N1)C2=C(C=C(C=C2)NC(=O)C3(CC3)C4=C(C=C(C=C4)OC(F)(F)F)F)C(=O)OC

DOS

IR

Vibrations