Geometry & MOs

Info

ID:

320116

PubChem CID:

126658309

Reduced:

ON6H18C22 (1)

Stoich.:

AB6C18D22 (1)

Weight, g/mol:

866.460308

ΔHf, kcal/mol:

116.74

Dipole, Da:

3.79

IP(EA), eV:

 -9.17(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2S)-2-[6-[(2R,5R)-1-(2-fluoropyridin-4-yl)-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-6-methyl-1,7-dihydrobenzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CC1C2=NC=C(C=C2)C3=CC(=NC=C3)C(=O)NC4=CC=CC(=C4)C5=NC=NN5

DOS

IR

Vibrations