Geometry & MOs

Info

ID:	132199
PubChem CID:	51319612
Reduced:	NO2H9C10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	331.090309
ΔH_f, kcal/mol:	-105.67
Dipole, Da:	3.02
IP(EA), eV:	-8.67(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=CC2=O)COC(=O)CC3=CC4=C(C=C3)OCC4)C=C1

DOS

IR

Vibrations