Geometry & MOs

Info

ID:	307387
PubChem CID:	125299755
Reduced:	N2O6C27H30 (1)
Stoich.:	A2B6C27D30 (1)
Weight, g/mol:	326.209324
ΔH_f, kcal/mol:	-193.41
Dipole, Da:	7.04
IP(EA), eV:	-8.98(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-[(1S,2S,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoic acid

Drug info:

PubChemData

Smile

CCCC[C@@H]1CC(=O)OC2=C1C=CC(=C2)O[C@@H](C)C(=O)N[C@H](CC3=C4C=CC=CC4=NC3)C(=O)O

DOS

IR

Vibrations