Geometry & MOs

Info

ID:	408593
PubChem CID:	135081360
Reduced:	ClPSN2O11C14H28 (1)
Stoich.:	ABCD2E11F14G28 (1)
Weight, g/mol:	379.867681
ΔH_f, kcal/mol:	-367.57
Dipole, Da:	12.09
IP(EA), eV:	-10.04(-2.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,6R,7R,8S)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene

Drug info:

PubChemData

Smile

CCOC(=O)C(=NN=P(CS(=O)(C)(C)OCl(=O)(=O)=O)(OCC)OCC)C(=O)OCC

DOS

IR

Vibrations