Geometry & MOs

Info

ID:	15856
PubChem CID:	453728
Reduced:	N2S2O3C16H20 (1)
Stoich.:	A2B2C3D16E20 (1)
Weight, g/mol:	352.091535
ΔH_f, kcal/mol:	-78.85
Dipole, Da:	5.72
IP(EA), eV:	-9.13(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=C(N(C(=NC1=O)S)COCCO)SC2=CC=CC=C2

DOS

IR

Vibrations