Geometry & MOs

Info

ID:	13827
PubChem CID:	399047
Reduced:	SN3O3H9C11 (1)
Stoich.:	AB3C3D9E11 (1)
Weight, g/mol:	263.036462
ΔH_f, kcal/mol:	-1.81
Dipole, Da:	11.36
IP(EA), eV:	-8.72(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-1-(2-methylphenyl)-5-nitroso-2-sulfanylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=C(C(=O)N=C2S)N=O)O

DOS

IR

Vibrations