Geometry & MOs

Info

ID:	381690
PubChem CID:	134972493
Reduced:	SO6C21H26 (1)
Stoich.:	AB6C21D26 (1)
Weight, g/mol:	153.12794
ΔH_f, kcal/mol:	-203.39
Dipole, Da:	4.55
IP(EA), eV:	-9.21(0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1R,6S)-1-methyl-4-prop-1-en-2-yl-7-oxoniabicyclo[4.1.0]heptane

Drug info:

PubChemData

Smile

CS(=O)(=O)O[C@H](CCC=O)[C@@H](COCC1=CC=CC=C1)OCC2=CC=CC=C2

DOS

IR

Vibrations