Geometry & MOs

Info

ID:

322472

PubChem CID:

126670229

Reduced:

O3N4C21H27 (2)

Stoich.:

A3B4C21D27 (2)

Weight, g/mol:

834.385331

ΔHf, kcal/mol:

-119.34

Dipole, Da:

4.5

IP(EA), eV:

 -8.55(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1R)-2-[2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-(2-methylphenyl)phenyl]buta-1,3-diynyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C#CC#C/C(=C(/C=C)\C3=CC=CC=C3)/C(C)N=C([C@@H]4CCCN4C(=O)[C@H](C(C)C)NC(=O)OC)N)NC(=O)OC

DOS

IR

Vibrations