Geometry & MOs

Info

ID:	352757
PubChem CID:	127283846
Reduced:	O2S2N3C12H19 (1)
Stoich.:	A2B2C3D12E19 (1)
Weight, g/mol:	343.110296
ΔH_f, kcal/mol:	-51.37
Dipole, Da:	1.88
IP(EA), eV:	-8.66(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)NC(=O)CN2CCS(=O)CC2)C

DOS

IR

Vibrations