Geometry & MOs

Info

ID:	138790
PubChem CID:	52425575
Reduced:	ClSN4O4H21C23 (1)
Stoich.:	ABC4D4E21F23 (1)
Weight, g/mol:	488.188212
ΔH_f, kcal/mol:	-59.25
Dipole, Da:	7.36
IP(EA), eV:	-9.34(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-[(3R)-1,1-dioxothiolan-3-yl]-6-(4-ethylphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CO3)C(=O)NCC4=CC=CC=C4Cl)[C@@H]5CCS(=O)(=O)C5

DOS

IR

Vibrations