Geometry & MOs

Info

ID:	366242
PubChem CID:	127319699
Reduced:	SN3O3C12H17 (1)
Stoich.:	AB3C3D12E17 (1)
Weight, g/mol:	351.088892
ΔH_f, kcal/mol:	-82.8
Dipole, Da:	9.11
IP(EA), eV:	-10.04(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1,1-dioxothian-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=NNC(=C2)C3CC3

DOS

IR

Vibrations