Geometry & MOs

Info

ID:	218082
PubChem CID:	85088832
Reduced:	SF3O6C18H25 (1)
Stoich.:	AB3C6D18E25 (1)
Weight, g/mol:	426.095952
ΔH_f, kcal/mol:	-398.5
Dipole, Da:	4.61
IP(EA), eV:	-9.52(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(benzenesulfonyl)-3-phenylcyclopropyl]sulfonylmethyl]-4-methylbenzene

Drug info:

PubChemData

Smile

CCCCOC1CC(C(C(O1)C)OS(=O)(=O)C(F)(F)F)OCC2=CC=CC=C2

DOS

IR

Vibrations