Geometry & MOs

Info

ID:

237662

PubChem CID:

92720273

Reduced:

N3O7C26H31 (1)

Stoich.:

A3B7C26D31 (1)

Weight, g/mol:

446.162391

ΔHf, kcal/mol:

-198.66

Dipole, Da:

7.92

IP(EA), eV:

 -9.27(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CCCCN1[C@@H]([C@@H](CCC1=O)C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations