Geometry & MOs

Info

ID:	138775
PubChem CID:	52424626
Reduced:	SO3N4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	464.151826
ΔH_f, kcal/mol:	-70.02
Dipole, Da:	5.93
IP(EA), eV:	-9.19(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=C(C(=NN3[C@H]4CCS(=O)(=O)C4)C)C(=C2)C(=O)NC5CCCC5

DOS

IR

Vibrations