Geometry & MOs

Info

ID:	1093
PubChem CID:	3777
Reduced:	O5C25H44 (1)
Stoich.:	A5B25C44 (1)
Weight, g/mol:	424.318875
ΔH_f, kcal/mol:	-296.72
Dipole, Da:	4.34
IP(EA), eV:	-9.9(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 7-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

CCCCCCCC(=O)CCC1C(CC(C1CC=CCCCC(=O)OC(C)C)O)O

DOS

IR

Vibrations