Geometry & MOs

Info

ID:	263026
PubChem CID:	103334788
Reduced:	OS2N6C12H14 (1)
Stoich.:	AB2C6D12E14 (1)
Weight, g/mol:	308.051401
ΔH_f, kcal/mol:	46.52
Dipole, Da:	3.32
IP(EA), eV:	-8.75(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CCN1C(=O)NN=C1SC2=NC(=NC3=C2C=C(S3)C)NC

DOS

IR

Vibrations