Geometry & MOs

Info

ID:	138771
PubChem CID:	52424020
Reduced:	SO3N4C21H24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	412.156912
ΔH_f, kcal/mol:	-59.64
Dipole, Da:	5.67
IP(EA), eV:	-9.33(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)NC(C)C)[C@@H]4CCS(=O)(=O)C4

DOS

IR

Vibrations