Geometry & MOs

Info

ID:

434951

PubChem CID:

135176049

Reduced:

ClF2N3O6C42H50 (1)

Stoich.:

AB2C3D6E42F50 (1)

Weight, g/mol:

664.287942

ΔHf, kcal/mol:

-356.13

Dipole, Da:

6.43

IP(EA), eV:

 -9.02(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[(2R)-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

CC(C)(C)OC(=O)NC1CC2CCC(C1)N2C(=O)C(C(C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)(F)F)NC(=O)C(C5=CC=C(C=C5)OCC6CCCCC6)O

DOS

IR

Vibrations