Geometry & MOs

Info

ID:

50860

PubChem CID:

12013449

Reduced:

ClPN2O2C11H13 (1)

Stoich.:

ABC2D2E11F13 (1)

Weight, g/mol:

406.093857

ΔHf, kcal/mol:

-93.36

Dipole, Da:

1.87

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.767452

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-2-[2-(4-methoxyphenyl)-2-sulfanylidene-1,3,2lambda5-oxazaphosphinan-3-yl]benzenecarbothioamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2N([P+]1=O)CCCCl

DOS

IR

Vibrations