Geometry & MOs

Info

ID:	352449
PubChem CID:	127283537
Reduced:	NSO3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	393.027555
ΔH_f, kcal/mol:	-90.58
Dipole, Da:	3.36
IP(EA), eV:	-8.74(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CS(=O)CCN1C(=O)C2CC3=CC=CC=C3OC2

DOS

IR

Vibrations