Geometry & MOs

Info

ID:	148664
PubChem CID:	53788332
Reduced:	PSN2O3C9H13 (1)
Stoich.:	ABC2D3E9F13 (1)
Weight, g/mol:	442.23891
ΔH_f, kcal/mol:	-159.0
Dipole, Da:	2.76
IP(EA), eV:	-9.3(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,2S)-1-hydroxy-2-[7-(hydroxymethyl)-9-methylsulfinyl-8-oxonon-1-enyl]cyclopentyl]hept-2-enoic acid

Drug info:

PubChemData

Smile

CSC(=NP(=O)(O)OCC1=CC=CC=C1)N

DOS

IR

Vibrations