Geometry & MOs

Info

ID:	401070
PubChem CID:	135049967
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	272.063779
ΔH_f, kcal/mol:	-113.23
Dipole, Da:	0.78
IP(EA), eV:	-9.72(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(chloromethylsulfonyl)cyclohexyl]benzene

Drug info:

PubChemData

Smile

CCOCC(C)(C(=O)C1=CC=CC=C1)O

DOS

IR

Vibrations