Geometry & MOs

Info

ID:	5034
PubChem CID:	12485
Reduced:	OSN2C5H6 (1)
Stoich.:	ABC2D5E6 (1)
Weight, g/mol:	142.020084
ΔH_f, kcal/mol:	-21.8
Dipole, Da:	2.08
IP(EA), eV:	-9.43(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-sulfanyl-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=CN=C(NC1=O)S

DOS

IR

Vibrations