Geometry & MOs

Info

ID:

434950

PubChem CID:

135176048

Reduced:

ClF2N3O4C37H42 (1)

Stoich.:

AB2C3D4E37F42 (1)

Weight, g/mol:

765.33562

ΔHf, kcal/mol:

-242.58

Dipole, Da:

2.76

IP(EA), eV:

 -8.93(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[3-[4-(4-chlorophenyl)phenyl]-2-[[2-[4-(cyclohexylmethoxy)phenyl]-2-hydroxyacetyl]amino]-3,3-difluoropropanoyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=C(C=C2)[C@@H](C(=O)N[C@H](C(=O)N3C4CCC3CC(C4)N)C(C5=CC=C(C=C5)C6=CC=C(C=C6)Cl)(F)F)O

DOS

IR

Vibrations