Geometry & MOs

Info

ID:	169449
PubChem CID:	75105882
Reduced:	SCl2O2N3C22H25 (1)
Stoich.:	AB2C2D3E22F25 (1)
Weight, g/mol:	239.022832
ΔH_f, kcal/mol:	-66.9
Dipole, Da:	3.97
IP(EA), eV:	-8.73(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(azetidin-1-yl)-5-chloro-1,3-diazinane-2,4-dione;hydrochloride

Drug info:

PubChemData

Smile

C1C(OC(O1)(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)CSC4=CC=CC=C4N.Cl

DOS

IR

Vibrations