Geometry & MOs

Info

ID:	138789
PubChem CID:	52425370
Reduced:	SN4O5C24H24 (1)
Stoich.:	AB4C5D24E24 (1)
Weight, g/mol:	484.097204
ΔH_f, kcal/mol:	-89.89
Dipole, Da:	7.4
IP(EA), eV:	-9.18(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]-6-(furan-2-yl)-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=C4OC)[C@@H]5CCS(=O)(=O)C5

DOS

IR

Vibrations