Geometry & MOs

Info

ID:

317890

PubChem CID:

126647208

Reduced:

INO5C24H26 (1)

Stoich.:

ABC5D24E26 (1)

Weight, g/mol:

968.354337

ΔHf, kcal/mol:

-171.95

Dipole, Da:

5.18

IP(EA), eV:

 -9.33(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC(=C1)C2=C(C=CC(=C2)C(=O)C[C@@]3(CCCN3C(=O)O)C(=O)O)I

DOS

IR

Vibrations