Geometry & MOs

Info

ID:	217513
PubChem CID:	85087926
Reduced:	SO4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	370.12388
ΔH_f, kcal/mol:	-4.97
Dipole, Da:	4.11
IP(EA), eV:	-9.29(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(benzenesulfonyl)-2-methyl-2-phenylmethoxy-8-oxabicyclo[3.2.1]oct-6-ene

Drug info:

PubChemData

Smile

CC1(CCC2C(=CC1O2)S(=O)(=O)C3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations