Geometry & MOs

Info

ID:	226198
PubChem CID:	87349957
Reduced:	FSN3O3H24C26 (1)
Stoich.:	ABC3D3E24F26 (1)
Weight, g/mol:	264.157288
ΔH_f, kcal/mol:	-93.26
Dipole, Da:	5.93
IP(EA), eV:	-8.75(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-6-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]hexanal

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)O)N1CC2=C(C1=O)C=C(C=C2)C3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4F

DOS

IR

Vibrations