Geometry & MOs

Info

ID:

138794

PubChem CID:

52426279

Reduced:

SN4O4C27H28 (1)

Stoich.:

AB4C4D27E28 (1)

Weight, g/mol:

508.158055

ΔHf, kcal/mol:

-67.14

Dipole, Da:

10.54

IP(EA), eV:

 -9.04(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3S)-1,1-dioxothiolan-3-yl]-6-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)N[C@H](C)C4=CC=CC=C4)[C@H]5CCS(=O)(=O)C5

DOS

IR

Vibrations