Geometry & MOs

Info

ID:	11815
PubChem CID:	121460
Reduced:	ClSN3O3C16H20 (1)
Stoich.:	ABC3D3E16F20 (1)
Weight, g/mol:	369.09139
ΔH_f, kcal/mol:	-104.3
Dipole, Da:	6.43
IP(EA), eV:	-9.01(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-morpholin-4-ylethyl)-5-phenyl-2-sulfanyl-1H-pyrimidine-4,6-dione;hydrochloride

Drug info:

PubChemData

Smile

C1COCCN1CCC2(C(=O)NC(=NC2=O)S)C3=CC=CC=C3.Cl

DOS

IR

Vibrations