Geometry & MOs

Info

ID:	215902
PubChem CID:	85085415
Reduced:	SO3C8H12 (1)
Stoich.:	AB3C8D12 (1)
Weight, g/mol:	187.04941
ΔH_f, kcal/mol:	-87.28
Dipole, Da:	5.47
IP(EA), eV:	-9.98(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(pyrimidin-4-ylmethylidene)-1,2,4-triazin-6-one

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C2C1C3C2COC3

DOS

IR

Vibrations