Geometry & MOs

Info

ID:	153350
PubChem CID:	56312535
Reduced:	BrSO2N4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	478.07529
ΔH_f, kcal/mol:	-5.37
Dipole, Da:	2.77
IP(EA), eV:	-9.16(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)CC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations