Geometry & MOs

Info

ID:	1498
PubChem CID:	4600
Reduced:	O6C23H38 (1)
Stoich.:	A6B23C38 (1)
Weight, g/mol:	410.266839
ΔH_f, kcal/mol:	-307.96
Dipole, Da:	2.17
IP(EA), eV:	-9.72(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[3-hydroxy-2-(3-hydroxy-5-methylnon-1-enyl)-5-oxocyclopentyl]-6-oxoheptanoate

Drug info:

PubChemData

Smile

CCCCC(C)CC(C=CC1C(CC(=O)C1CC(=O)CCCCC(=O)OC)O)O

DOS

IR

Vibrations