Geometry & MOs

Info

ID:

317888

PubChem CID:

126647196

Reduced:

INO5H20C21 (1)

Stoich.:

ABC5D20E21 (1)

Weight, g/mol:

616.279804

ΔHf, kcal/mol:

-160.01

Dipole, Da:

7.61

IP(EA), eV:

 -9.4(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-phenylphenyl]buta-1,3-diynyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)CC3(CCCN3C(=O)O)C(=O)O)I

DOS

IR

Vibrations