Geometry & MOs

Info

ID:	22723
PubChem CID:	598411
Reduced:	OSN2C7H10 (1)
Stoich.:	ABC2D7E10 (1)
Weight, g/mol:	170.051384
ΔH_f, kcal/mol:	-31.53
Dipole, Da:	3.63
IP(EA), eV:	-9.14(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCSC1=NC=C(C(=O)N1)C

DOS

IR

Vibrations