Geometry & MOs

Info

ID:	182387
PubChem CID:	76883865
Reduced:	SO2N4C8H12 (1)
Stoich.:	AB2C4D8E12 (1)
Weight, g/mol:	293.197751
ΔH_f, kcal/mol:	-16.87
Dipole, Da:	1.23
IP(EA), eV:	-9.1(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-amino-3-methyl-5-(3-methylcyclohexyl)imino-1-propylpyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

C1C(CNN1)S(=O)(=O)NC2=CN=CC=C2

DOS

IR

Vibrations