Geometry & MOs

Info

ID:

237421

PubChem CID:

92719132

Reduced:

BrN2O5C20H21 (1)

Stoich.:

AB2C5D20E21 (1)

Weight, g/mol:

494.235162

ΔHf, kcal/mol:

-97.79

Dipole, Da:

7.55

IP(EA), eV:

 -10.03(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC[C@H](C1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations