Geometry & MOs

Info

ID:	1983
PubChem CID:	5495
Reduced:	SN2O3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	320.119464
ΔH_f, kcal/mol:	-113.34
Dipole, Da:	3.99
IP(EA), eV:	-8.95(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCOCN1C(=C(C(=O)NC1=O)C(C)C)SC2=CC=CC=C2

DOS

IR

Vibrations