Geometry & MOs

Info

ID:	3732
PubChem CID:	10082
Reduced:	NOSC6H10 (2)
Stoich.:	ABCD6E10 (2)
Weight, g/mol:	288.09662
ΔH_f, kcal/mol:	-84.34
Dipole, Da:	4.21
IP(EA), eV:	-8.69(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylsulfanylethyl)-5-pentan-2-yl-2-sulfanyl-1H-pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CCCC(C)C1(C(=O)NC(=NC1=O)S)CCSC

DOS

IR

Vibrations