Geometry & MOs

Info

ID:	7206
PubChem CID:	71523
Reduced:	ISO3C18H27 (1)
Stoich.:	ABC3D18E27 (1)
Weight, g/mol:	450.07256
ΔH_f, kcal/mol:	-59.25
Dipole, Da:	32.99
IP(EA), eV:	-4.82(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-dimethylsulfanium;iodide

Drug info:

PubChemData

Smile

C[S+](C)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[I-]

DOS

IR

Vibrations