Geometry & MOs

Info

ID:	13621
PubChem CID:	396179
Reduced:	SN2O4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	308.083078
ΔH_f, kcal/mol:	-123.33
Dipole, Da:	4.46
IP(EA), eV:	-8.64(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(benzenesulfinyl)ethoxymethyl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)COCCS(=O)C2=CC=CC=C2

DOS

IR

Vibrations