Geometry & MOs

Info

ID:	138777
PubChem CID:	52424938
Reduced:	SN4O4C24H24 (1)
Stoich.:	AB4C4D24E24 (1)
Weight, g/mol:	464.151826
ΔH_f, kcal/mol:	-55.55
Dipole, Da:	8.53
IP(EA), eV:	-9.32(-1.35)
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-[(1R)-1-phenylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CO3)C(=O)N[C@H](C)C4=CC=CC=C4)[C@@H]5CCS(=O)(=O)C5

DOS

IR

Vibrations