Geometry & MOs

Info

ID:

320076

PubChem CID:

126658145

Reduced:

F2O4N7H43C51 (1)

Stoich.:

A2B4C7D43E51 (1)

Weight, g/mol:

934.522908

ΔHf, kcal/mol:

-72.44

Dipole, Da:

8.53

IP(EA), eV:

 -8.22(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2S)-2-[5-[(2S,5S)-1-(3-fluoro-4-piperidin-1-ylphenyl)-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-2,3-dihydro-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC2=CC=C(C=C2)NC(=O)C3=CN=C(C4=C3C=CC(=C4)C5=CC(=CC(=C5)COC6=CC=C(C=C6)NC(=O)C7=CN=C(C8=C7C=CC(=C8)C9=CC(=CC=C9)F)N)F)N

DOS

IR

Vibrations