Geometry & MOs

Info

ID:	16076
PubChem CID:	459134
Reduced:	OSN3H7C9 (1)
Stoich.:	ABC3D7E9 (1)
Weight, g/mol:	205.030983
ΔH_f, kcal/mol:	30.88
Dipole, Da:	5.55
IP(EA), eV:	-10.06(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pyridin-4-yl-2-sulfanyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CN=CC=C1C2=CC(=O)N=C(N2)S

DOS

IR

Vibrations