Geometry & MOs

Info

ID:	186302
PubChem CID:	77416436
Reduced:	O5C23H38 (1)
Stoich.:	A5B23C38 (1)
Weight, g/mol:	444.25456
ΔH_f, kcal/mol:	-242.71
Dipole, Da:	6.48
IP(EA), eV:	-9.57(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dihydroxy-3-methyl-7-[3-(methylsulfonylmethyl)-2-oct-1-enylcyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCCCCC=CC1C(CC(=O)C1CC=CCCC(C(=O)OC)O)COC

DOS

IR

Vibrations