Geometry & MOs

Info

ID:	149535
PubChem CID:	53789208
Reduced:	O3C28H40 (1)
Stoich.:	A3B28C40 (1)
Weight, g/mol:	478.384452
ΔH_f, kcal/mol:	-162.01
Dipole, Da:	8.71
IP(EA), eV:	-9.4(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-cyclopentyl-6-[1-cyclopentyl-6-(oxolan-2-yl)hexyl]sulfanylhexyl]oxolane

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CC4CCCCC4)CC=C5[C@@]3(CCC(=C5)C(=O)O)C

DOS

IR

Vibrations