Geometry & MOs

Info

ID:	352727
PubChem CID:	127283816
Reduced:	N2S2O4C15H26 (1)
Stoich.:	A2B2C4D15E26 (1)
Weight, g/mol:	317.083413
ΔH_f, kcal/mol:	-165.0
Dipole, Da:	6.22
IP(EA), eV:	-8.51(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)CN3CCS(=O)CC3

DOS

IR

Vibrations