Geometry & MOs

Info

ID:	158150
PubChem CID:	56463068
Reduced:	BrSN4O4C20H21 (1)
Stoich.:	ABC4D4E20F21 (1)
Weight, g/mol:	483.139882
ΔH_f, kcal/mol:	-101.57
Dipole, Da:	3.88
IP(EA), eV:	-9.48(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

DOS

IR

Vibrations