Geometry & MOs

Info

ID:

432904

PubChem CID:

135173041

Reduced:

ON10H28C29 (1)

Stoich.:

AB10C28D29 (1)

Weight, g/mol:

901.429816

ΔHf, kcal/mol:

185.86

Dipole, Da:

10.35

IP(EA), eV:

 -7.97(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CN=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)NC(C7=CC=CC=C7)O)/N=C23

DOS

IR

Vibrations