Geometry & MOs

Info

ID:	7164
PubChem CID:	71437
Reduced:	O5C22H38 (1)
Stoich.:	A5B22C38 (1)
Weight, g/mol:	382.271924
ΔH_f, kcal/mol:	-266.42
Dipole, Da:	1.43
IP(EA), eV:	-9.59(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations