Geometry & MOs

Info

ID:	56442
PubChem CID:	17425468
Reduced:	SN2O4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	341.112404
ΔH_f, kcal/mol:	-86.92
Dipole, Da:	7.67
IP(EA), eV:	-8.73(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3CC3

DOS

IR

Vibrations