Geometry & MOs

Info

ID:	12862
PubChem CID:	147144
Reduced:	PO2S2N5Cl6C12H18 (1)
Stoich.:	AB2C2D5E6F12G18 (1)
Weight, g/mol:	570.87412
ΔH_f, kcal/mol:	-190.9
Dipole, Da:	4.07
IP(EA), eV:	-9.51(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine;1,2,3,4,5,6-hexachlorocyclohexane

Drug info:

PubChemData

Smile

COP(=S)(OC)SCC1=NC(=NC(=N1)N)N.C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl

DOS

IR

Vibrations