Geometry & MOs

Info

ID:	227434
PubChem CID:	87561749
Reduced:	OSCl2N3H9C13 (1)
Stoich.:	ABC2D3E9F13 (1)
Weight, g/mol:	245.083413
ΔH_f, kcal/mol:	21.79
Dipole, Da:	6.77
IP(EA), eV:	-8.9(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-sulfanylhexyl)-1,3,5-triazinane-2,4,6-trione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)N)C(=S)NC2=C(N=C(C=C2)Cl)Cl

DOS

IR

Vibrations