Geometry & MOs

Info

ID:	24138
PubChem CID:	608037
Reduced:	SN2O2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	242.108899
ΔH_f, kcal/mol:	-94.73
Dipole, Da:	4.68
IP(EA), eV:	-9.59(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methylsulfanyl-5,5-dipropylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCC1(C(=O)NC(=O)N=C1SC)CCC

DOS

IR

Vibrations