Geometry & MOs

Info

ID:	227551
PubChem CID:	87561970
Reduced:	NSO4H15C17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	412.237977
ΔH_f, kcal/mol:	-88.49
Dipole, Da:	4.63
IP(EA), eV:	-8.9(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoxy]butanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=S)C3=C(O2)C=CC(=C3)OCC(=O)NCCO

DOS

IR

Vibrations