Geometry & MOs

Info

ID:	52171
PubChem CID:	12014970
Reduced:	OSC13H20 (1)
Stoich.:	ABC13D20 (1)
Weight, g/mol:	156.097272
ΔH_f, kcal/mol:	-32.37
Dipole, Da:	0.98
IP(EA), eV:	-8.56(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-pentyl-2,5-dihydrothiophene

Drug info:

PubChemData

Smile

CCCCC[C@H]1[C@H]2[C@@H](CS1)[C@@H]3C=C[C@H]2O3

DOS

IR

Vibrations