Geometry & MOs

Info

ID:	16368
PubChem CID:	465880
Reduced:	ON2S2C12H12 (1)
Stoich.:	AB2C2D12E12 (1)
Weight, g/mol:	264.039105
ΔH_f, kcal/mol:	15.26
Dipole, Da:	6.5
IP(EA), eV:	-9.32(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NC(=NC1=O)S)CSC2=CC=CC=C2

DOS

IR

Vibrations