Geometry & MOs

Info

ID:	339224
PubChem CID:	127260603
Reduced:	NOC9H19 (1)
Stoich.:	ABC9D19 (1)
Weight, g/mol:	590.179681
ΔH_f, kcal/mol:	-71.72
Dipole, Da:	3.36
IP(EA), eV:	-8.72(2.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(3-cyclohexyloxysulfonyl-4-phenylphenyl)propan-2-yl]-2-phenylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CN(C)C[C@@H]1CCC[C@H](C1)O

DOS

IR

Vibrations