Geometry & MOs

Info

ID:	16367
PubChem CID:	465876
Reduced:	ON2S2H10C11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	250.023455
ΔH_f, kcal/mol:	18.57
Dipole, Da:	8.5
IP(EA), eV:	-9.4(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(phenylsulfanylmethyl)-2-sulfanyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)S

DOS

IR

Vibrations