Geometry & MOs

Info

ID:	177065
PubChem CID:	76132270
Reduced:	O9C48H76 (1)
Stoich.:	A9B48C76 (1)
Weight, g/mol:	352.207216
ΔH_f, kcal/mol:	-529.0
Dipole, Da:	6.5
IP(EA), eV:	-9.72(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(cyclohexylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(C(=O)CC(C4)OC(=O)CCC(C)C5CCC6C5(C(CC7C6CCC8C7(CCC(C8)O)C)O)C)C)O)O)C

DOS

IR

Vibrations