Geometry & MOs

Info

ID:

432744

PubChem CID:

135172881

Reduced:

NO3C18H20 (2)

Stoich.:

AB3C18D20 (2)

Weight, g/mol:

885.434902

ΔHf, kcal/mol:

-190.14

Dipole, Da:

4.78

IP(EA), eV:

 -9.07(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[4-[acetyl-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]amino]-1-(methylamino)-1-oxobutan-2-yl]-2-[2-[2-[(2-pyridin-4-ylacetyl)amino]propanoylamino]propanoylamino]butanediamide

Drug info:

PubChemData

Smile

C=C1CC2(C3=CC=CC=C3N(C2=O)CCCCCCCCCCCCN4C5=CC=CC=C5C6(C4=O)CC(=C)C(=O)O6)OC1=O

DOS

IR

Vibrations