Geometry & MOs

Info

ID:	227405
PubChem CID:	87561695
Reduced:	SF3O3H21C24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	390.27701
ΔH_f, kcal/mol:	-220.43
Dipole, Da:	5.4
IP(EA), eV:	-8.97(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)C(F)(F)F)CC(=O)O)CSCC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations