Geometry & MOs

Info

ID:	45757
PubChem CID:	10517343
Reduced:	SO2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	286.214409
ΔH_f, kcal/mol:	-44.37
Dipole, Da:	5.14
IP(EA), eV:	-9.26(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl [(4S,5S)-4-methyl-3-oxotridecan-5-yl] carbonate

Drug info:

PubChemData

Smile

C/C=C(/C1=CC=CC=C1C)\S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations