Geometry & MOs

Info

ID:	48153
PubChem CID:	10537528
Reduced:	O5C11H20 (1)
Stoich.:	A5B11C20 (1)
Weight, g/mol:	232.067034
ΔH_f, kcal/mol:	-196.47
Dipole, Da:	2.13
IP(EA), eV:	-9.91(1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-methylsulfanyl-5-phenyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H]2[C@@H](O2)[C@@H]([C@@H]1OCOC)OCOC

DOS

IR

Vibrations