Geometry & MOs

Info

ID:	179154
PubChem CID:	76442990
Reduced:	SN4O5C46H52 (1)
Stoich.:	AB4C5D46E52 (1)
Weight, g/mol:	408.287574
ΔH_f, kcal/mol:	-51.73
Dipole, Da:	5.46
IP(EA), eV:	-8.9(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(4-ethenyl-4-hydroxydec-1-enyl)-5-hydroxy-3-oxocyclopentyl]heptanoic acid

Drug info:

PubChemData

Smile

COC(=O)CCCCCCCCC=CC=CC(C(C1=CC=CC(=C1)C2=NN(N=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O)SCCC(=O)OC

DOS

IR

Vibrations