Geometry & MOs

Info

ID:	149423
PubChem CID:	53789096
Reduced:	SN2C11H20 (1)
Stoich.:	AB2C11D20 (1)
Weight, g/mol:	437.277738
ΔH_f, kcal/mol:	5.17
Dipole, Da:	4.22
IP(EA), eV:	-9.03(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(1R,2R)-3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]oct-6-en-2-yl N-acetylcarbamate

Drug info:

PubChemData

Smile

CCCCCCSCCC1=CC=NN1

DOS

IR

Vibrations