Geometry & MOs

Info

ID:

432800

PubChem CID:

135172937

Reduced:

ON10C25H28 (1)

Stoich.:

AB10C25D28 (1)

Weight, g/mol:

899.450552

ΔHf, kcal/mol:

143.7

Dipole, Da:

4.53

IP(EA), eV:

 -7.94(-2.22)

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-[methyl-[2-[(2-pyridin-4-ylacetyl)amino]propanoyl]amino]propanoylamino]butanediamide

Drug info:

PubChemData

Smile

CCC(NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/N=C5C=NC=C(C5=N4)N6CCN(CC6)C)/NN3)O

DOS

IR

Vibrations