Geometry & MOs

Info

ID:	178290
PubChem CID:	76309519
Reduced:	NOSC7H8 (2)
Stoich.:	ABCD7E8 (2)
Weight, g/mol:	322.098728
ΔH_f, kcal/mol:	-10.34
Dipole, Da:	5.52
IP(EA), eV:	-8.94(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCON1C(=C(C(=O)NC1=S)C)SC2=CC=CC=C2

DOS

IR

Vibrations