Geometry & MOs

Info

ID:	11821
PubChem CID:	121472
Reduced:	ClSN3O3C14H18 (1)
Stoich.:	ABC3D3E14F18 (1)
Weight, g/mol:	343.07574
ΔH_f, kcal/mol:	-114.64
Dipole, Da:	7.22
IP(EA), eV:	-9.36(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(dimethylamino)ethyl]-5-(3-hydroxyphenyl)-2-sulfanyl-1H-pyrimidine-4,6-dione;hydrochloride

Drug info:

PubChemData

Smile

CN(C)CCC1(C(=O)NC(=NC1=O)S)C2=CC(=CC=C2)O.Cl

DOS

IR

Vibrations