Geometry & MOs

Info

ID:	52170
PubChem CID:	12014969
Reduced:	O3C13H22 (1)
Stoich.:	A3B13C22 (1)
Weight, g/mol:	224.123486
ΔH_f, kcal/mol:	-130.63
Dipole, Da:	3.31
IP(EA), eV:	-10.3(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,6R,7S)-3-pentyl-10-oxa-4-thiatricyclo[5.2.1.02,6]dec-8-ene

Drug info:

PubChemData

Smile

CCCCC[C@H]([C@@H]1[C@H]2C=C[C@@H]([C@@H]1CO)O2)O

DOS

IR

Vibrations