Geometry & MOs

Info

ID:

169636

PubChem CID:

75130182

Reduced:

ClSO3N7H14C19 (1)

Stoich.:

ABC3D7E14F19 (1)

Weight, g/mol:

467.173959

ΔHf, kcal/mol:

54.27

Dipole, Da:

5.81

IP(EA), eV:

 -9.49(-2.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,3-dimethyl-N-[2-oxo-2-[(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-5-yl)amino]ethyl]-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)N2C=NN=C2SCC(=O)NCC(=O)NC3=CC4=NC(=O)N=C4C=C3

DOS

IR

Vibrations