Geometry & MOs

Info

ID:	424104
PubChem CID:	135121330
Reduced:	ClO2N5C13H20 (1)
Stoich.:	AB2C5D13E20 (1)
Weight, g/mol:	316.047513
ΔH_f, kcal/mol:	-70.71
Dipole, Da:	9.04
IP(EA), eV:	-9.58(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-4-methylsulfonylphenoxy)-sulfanylidene-bis(trideuteriomethoxy)-lambda5-phosphane

Drug info:

PubChemData

Smile

CCC1=NC2=NC=NN2C(=C1CCCCCC(=O)O)N.Cl

DOS

IR

Vibrations