Geometry & MOs

Info

ID:

128079

PubChem CID:

51030371

Reduced:

SN5O6C30H37 (1)

Stoich.:

AB5C6D30E37 (1)

Weight, g/mol:

550.290368

ΔHf, kcal/mol:

-132.01

Dipole, Da:

5.08

IP(EA), eV:

 -9.06(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-3-(hydroxyamino)-2-[4-(2-methylpropanoyl)-1,4-diazocan-1-yl]-3-oxopropyl]-4-[(2-methylpyrazolo[1,5-a]pyridin-3-yl)methoxy]benzamide

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)N1CCN(CC1)[C@@H](CNC(=O)C2=CC=C(C=C2)OCC3=CC(=NC4=CC=CC=C43)C5CC5)C(=O)NO

DOS

IR

Vibrations