Geometry & MOs

Info

ID:

317884

PubChem CID:

126647134

Reduced:

O5C22H26 (1)

Stoich.:

A5B22C26 (1)

Weight, g/mol:

687.316917

ΔHf, kcal/mol:

-199.56

Dipole, Da:

3.78

IP(EA), eV:

 -9.38(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-methyl-6-phenylphenyl]buta-1,3-diynyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CC4=CC=CC=C4

DOS

IR

Vibrations