Geometry & MOs

Info

ID:	145202
PubChem CID:	53477479
Reduced:	O5C20H34 (1)
Stoich.:	A5B20C34 (1)
Weight, g/mol:	354.240624
ΔH_f, kcal/mol:	-258.91
Dipole, Da:	7.22
IP(EA), eV:	-10.02(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,5S)-7-[(1S,2S,3R,5S)-3,5-dihydroxy-2-[(Z)-oct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid

Drug info:

PubChemData

Smile

CCCCC/C=C\C[C@H]1[C@@H](C[C@@H]([C@@H]1/C=C/[C@H](CCCC(=O)O)O)O)O

DOS

IR

Vibrations