Geometry & MOs

Info

ID:	303604
PubChem CID:	124489952
Reduced:	O5C20H36 (1)
Stoich.:	A5B20C36 (1)
Weight, g/mol:	368.256274
ΔH_f, kcal/mol:	-279.31
Dipole, Da:	6.69
IP(EA), eV:	-10.18(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-3-methyloct-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]1CCCCCCC(=O)O)O)O)O

DOS

IR

Vibrations