Geometry & MOs

Info

ID:	178446
PubChem CID:	76331308
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	322.098728
ΔH_f, kcal/mol:	-79.52
Dipole, Da:	4.59
IP(EA), eV:	-9.03(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethylphenyl)sulfanyl-1-(2-hydroxyethoxy)-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1=C(N(C(=O)NC1=O)OC2CCCCC2)SC3=CC=CC=C3

DOS

IR

Vibrations