Geometry & MOs

Info

ID:	138797
PubChem CID:	52426534
Reduced:	S2N4O5H22C24 (1)
Stoich.:	A2B4C5D22E24 (1)
Weight, g/mol:	511.225326
ΔH_f, kcal/mol:	-78.95
Dipole, Da:	5.55
IP(EA), eV:	-9.01(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1,1-dioxothiolan-3-yl]-6-(4-ethylphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)NCC4=CC5=C(C=C4)OCO5)[C@@H]6CCS(=O)(=O)C6

DOS

IR

Vibrations