Geometry & MOs

Info

ID:	354914
PubChem CID:	127287674
Reduced:	SO3N4C15H20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	293.131031
ΔH_f, kcal/mol:	-43.79
Dipole, Da:	7.39
IP(EA), eV:	-9.52(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-1-propan-2-ylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=O)N=C1SCC2=NOC(=N2)C3CCOCC3

DOS

IR

Vibrations