Geometry & MOs

Info

ID:	320416
PubChem CID:	126660372
Reduced:	ClS3O4F6C11H19 (1)
Stoich.:	AB3C4D6E11F19 (1)
Weight, g/mol:	447.967434
ΔH_f, kcal/mol:	-499.22
Dipole, Da:	12.38
IP(EA), eV:	-8.84(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,3-bis(trifluoromethylsulfonyl)propoxy]ethyl-chloro-dimethyl-lambda4-sulfane

Drug info:

PubChemData

Smile

CCS(CC)(CCCCC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)Cl

DOS

IR

Vibrations