Geometry & MOs

Info

ID:	381400
PubChem CID:	134972120
Reduced:	ISnO2C19H35 (1)
Stoich.:	ABC2D19E35 (1)
Weight, g/mol:	224.123486
ΔH_f, kcal/mol:	-125.71
Dipole, Da:	3.02
IP(EA), eV:	-9.16(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S)-3,3,8-trimethyl-8-prop-1-en-2-yl-2-thiabicyclo[4.2.0]octan-5-one

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)OC(=O)C1=C(CCCC1)I

DOS

IR

Vibrations