Geometry & MOs

Info

ID:	352712
PubChem CID:	127283801
Reduced:	O2S2N3C11H13 (1)
Stoich.:	A2B2C3D11E13 (1)
Weight, g/mol:	325.091869
ΔH_f, kcal/mol:	-4.96
Dipole, Da:	7.74
IP(EA), eV:	-8.61(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-[1-(1-oxo-1,4-thiazinan-4-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CS(=O)CCN1CC(=O)NC2=C(C=CS2)C#N

DOS

IR

Vibrations