Geometry & MOs

Info

ID:	1321
PubChem CID:	4161
Reduced:	OSN2C5H6 (1)
Stoich.:	ABC2D5E6 (1)
Weight, g/mol:	142.020084
ΔH_f, kcal/mol:	-15.7
Dipole, Da:	7.47
IP(EA), eV:	-9.86(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-sulfanyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)S

DOS

IR

Vibrations