Geometry & MOs

Info

ID:	403673
PubChem CID:	135061249
Reduced:	OC24H36 (1)
Stoich.:	AB24C36 (1)
Weight, g/mol:	268.093329
ΔH_f, kcal/mol:	-53.95
Dipole, Da:	3.06
IP(EA), eV:	-9.07(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,2S)-2-fluoro-2-phenylsulfanylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC(=C)C1=C2CCC[C@]23CC(=O)[C@]1(C3)C4CCCCC4

DOS

IR

Vibrations