Geometry & MOs

Info

ID:	409828
PubChem CID:	135082615
Reduced:	ClNO6C12H18 (1)
Stoich.:	ABC6D12E18 (1)
Weight, g/mol:	358.150007
ΔH_f, kcal/mol:	-218.45
Dipole, Da:	3.21
IP(EA), eV:	-9.67(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-(2-chlorooctylsulfonyl)octane

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)[C@H]2[C@@H]3[C@H]([C@@](O2)(N=O)Cl)OC(O3)(C)C)C

DOS

IR

Vibrations