Geometry & MOs

Info

ID:	150296
PubChem CID:	53789984
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	388.207216
ΔH_f, kcal/mol:	-87.91
Dipole, Da:	2.03
IP(EA), eV:	-9.75(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1S,2S,3R,4R)-3-(3-hydroxy-4-phenylbutyl)-7-thiabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC1C(C(CCC1=O)(C)C)C(=O)C=C

DOS

IR

Vibrations