Geometry & MOs

Info

ID:	303580
PubChem CID:	124489927
Reduced:	O5C20H34 (1)
Stoich.:	A5B20C34 (1)
Weight, g/mol:	354.240624
ΔH_f, kcal/mol:	-255.69
Dipole, Da:	6.72
IP(EA), eV:	-9.85(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations