Geometry & MOs

Info

ID:	142735
PubChem CID:	53082817
Reduced:	SO3N5H21C26 (1)
Stoich.:	AB3C5D21E26 (1)
Weight, g/mol:	390.115047
ΔH_f, kcal/mol:	22.37
Dipole, Da:	9.58
IP(EA), eV:	-8.99(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfanylphenyl)-2-(3-oxo-2-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3N4C2=NN=C4C5=CC=CC=C5

DOS

IR

Vibrations