Geometry & MOs

Info

ID:

84800

PubChem CID:

49869981

Reduced:

NF3O6H12C19 (1)

Stoich.:

AB3C6D12E19 (1)

Weight, g/mol:

764.400981

ΔHf, kcal/mol:

-345.52

Dipole, Da:

9.15

IP(EA), eV:

 -10.03(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(1R,4R)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)C3=CC=C(C=C3)C(F)(F)F)OC(=C(C2=O)C(=O)NCC(=O)O)O

DOS

IR

Vibrations