Geometry & MOs

Info

ID:	189645
PubChem CID:	77884839
Reduced:	NO7C32H51 (1)
Stoich.:	AB7C32D51 (1)
Weight, g/mol:	364.224974
ΔH_f, kcal/mol:	-344.25
Dipole, Da:	4.68
IP(EA), eV:	-9.84(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[4-(2-ethylcyclopropyl)-3-hydroxybut-1-enyl]-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(CCCCCC1C(CCC1=O)C=CCCCCCC#N)(OC2CCCCO2)OC3CCCCO3

DOS

IR

Vibrations