Geometry & MOs

Info

ID:	150618
PubChem CID:	53790311
Reduced:	NO4C21H37 (1)
Stoich.:	AB4C21D37 (1)
Weight, g/mol:	367.272259
ΔH_f, kcal/mol:	-209.48
Dipole, Da:	5.72
IP(EA), eV:	-8.66(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,2R,3S,4S)-3-[2-(2-hydroxyhexylamino)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCCC(CNCC[C@H]1[C@@H]2CC[C@H]([C@@H]1CC=CCCCC(=O)O)O2)O

DOS

IR

Vibrations