Geometry & MOs

Info

ID:	307696
PubChem CID:	125308180
Reduced:	ClSN3O3H10C11 (1)
Stoich.:	ABC3D3E10F11 (1)
Weight, g/mol:	299.01314
ΔH_f, kcal/mol:	-53.04
Dipole, Da:	2.16
IP(EA), eV:	-9.12(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-[2-(4-chlorophenoxy)ethylsulfanyl]-6H-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCCS[C@H]2C(=O)NC(=O)N=N2)Cl

DOS

IR

Vibrations