Geometry & MOs

Info

ID:	7259
PubChem CID:	71753
Reduced:	O6C23H38 (1)
Stoich.:	A6B23C38 (1)
Weight, g/mol:	410.266839
ΔH_f, kcal/mol:	-308.86
Dipole, Da:	7.11
IP(EA), eV:	-10.11(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC[C@H](C)C[C@@H](C=C[C@H]1[C@@H](CC(=O)[C@@H]1CC(=O)CCCCC(=O)OC)O)O

DOS

IR

Vibrations