Geometry & MOs

Info

ID:

231224

PubChem CID:

87573057

Reduced:

ClOH13C23 (1)

Stoich.:

ABC13D23 (1)

Weight, g/mol:

947.505781

ΔHf, kcal/mol:

138.09

Dipole, Da:

5.2

IP(EA), eV:

 -8.12(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[(2S)-2-[5-[4-[1-(4-cyclohexylphenyl)-5-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrrol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C=C4C=C5C(=CC4=CC3=CC2=C1)C=CC(=C5C=O)Cl

DOS

IR

Vibrations