Geometry & MOs

Info

ID:	12263
PubChem CID:	133671
Reduced:	OC5H8 (5)
Stoich.:	AB5C8 (5)
Weight, g/mol:	420.287574
ΔH_f, kcal/mol:	-272.65
Dipole, Da:	4.91
IP(EA), eV:	-9.86(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,2R,3R)-2-[(3R)-3-acetyloxy-4,4-dimethyloct-1-enyl]-3-methyl-5-oxocyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations