Geometry & MOs

Info

ID:	382231
PubChem CID:	134973239
Reduced:	SO3C21H24 (1)
Stoich.:	AB3C21D24 (1)
Weight, g/mol:	358.265731
ΔH_f, kcal/mol:	-85.23
Dipole, Da:	1.72
IP(EA), eV:	-8.6(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[(3S,5R)-3,5-dihydroxy-2-[(E,3S)-4,5,6,7-tetradeuterio-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCCS/C=C(/C(C1=CC=CC=C1C2=CC=CC=C2)O)\C(=O)OC

DOS

IR

Vibrations