Geometry & MOs

Info

ID:	45912
PubChem CID:	10519011
Reduced:	SO5C15H18 (1)
Stoich.:	AB5C15D18 (1)
Weight, g/mol:	310.207885
ΔH_f, kcal/mol:	-186.79
Dipole, Da:	5.23
IP(EA), eV:	-9.84(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-sulfanylidene-6-tridecyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC(=O)C[C@@H]2[C@H]1S(=O)(=O)OC[C@H]2OCC3=CC=CC=C3

DOS

IR

Vibrations