Geometry & MOs

Info

ID:	154496
PubChem CID:	56313948
Reduced:	BrSN3O3H20C22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	492.09094
ΔH_f, kcal/mol:	-34.78
Dipole, Da:	4.57
IP(EA), eV:	-8.33(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)SCCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations