Geometry & MOs

Info

ID:

432861

PubChem CID:

135172998

Reduced:

FO2N8H19C25 (1)

Stoich.:

AB2C8D19E25 (1)

Weight, g/mol:

1195.561284

ΔHf, kcal/mol:

123.08

Dipole, Da:

9.94

IP(EA), eV:

 -8.78(-2.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[3-[[(2S)-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]-1-hydroxypropyl]-methylamino]propanoyl]amino]-4-methylpentanoyl]amino]butanoyl]amino]propanoylamino]pentanedioic acid

Drug info:

PubChemData

Smile

C1CC1C(NC2=CN=CC(=C2)C3=NC=C4C(=C3F)/C(=C\5/N=C6C=NC=C(C6=N5)C7=COC=C7)/NN4)O

DOS

IR

Vibrations