Geometry & MOs

Info

ID:	15855
PubChem CID:	453727
Reduced:	N2S2O3C15H18 (1)
Stoich.:	A2B2C3D15E18 (1)
Weight, g/mol:	338.075885
ΔH_f, kcal/mol:	-75.16
Dipole, Da:	5.77
IP(EA), eV:	-9.12(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-1-(2-hydroxyethoxymethyl)-6-phenylsulfanyl-2-sulfanylpyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=C(N(C(=NC1=O)S)COCCO)SC2=CC=CC=C2

DOS

IR

Vibrations