Geometry & MOs

Info

ID:	216920
PubChem CID:	85086989
Reduced:	SO3C18H20 (1)
Stoich.:	AB3C18D20 (1)
Weight, g/mol:	312.070131
ΔH_f, kcal/mol:	-76.85
Dipole, Da:	8.38
IP(EA), eV:	-9.24(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-methylsulfonylbut-3-enyl)oxane-3-sulfonate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C(CS(=O)CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations