Geometry & MOs

Info

ID:	2276
PubChem CID:	6543
Reduced:	PO2S2N5C6H12 (1)
Stoich.:	AB2C2D5E6F12 (1)
Weight, g/mol:	281.017004
ΔH_f, kcal/mol:	-116.02
Dipole, Da:	5.45
IP(EA), eV:	-9.33(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COP(=S)(OC)SCC1=NC(=NC(=N1)N)N

DOS

IR

Vibrations