Geometry & MOs

Info

ID:	12162
PubChem CID:	131711
Reduced:	O3C13H22 (2)
Stoich.:	A3B13C22 (2)
Weight, g/mol:	452.313789
ΔH_f, kcal/mol:	-323.28
Dipole, Da:	3.01
IP(EA), eV:	-9.43(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-propanoyloxyoct-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)OC(C)C)O)O)OC(=O)CC

DOS

IR

Vibrations