Geometry & MOs

Info

ID:	11819
PubChem CID:	121470
Reduced:	ClSO2N3C13H24 (1)
Stoich.:	ABC2D3E13F24 (1)
Weight, g/mol:	321.127776
ΔH_f, kcal/mol:	-118.61
Dipole, Da:	4.42
IP(EA), eV:	-8.68(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(dimethylamino)ethyl]-5-pentan-2-yl-2-sulfanyl-1H-pyrimidine-4,6-dione;hydrochloride

Drug info:

PubChemData

Smile

CCCC(C)C1(C(=O)NC(=NC1=O)S)CCN(C)C.Cl

DOS

IR

Vibrations