Geometry & MOs

Info

ID:	177314
PubChem CID:	76166182
Reduced:	NO3F5C26H34 (1)
Stoich.:	AB3C5D26E34 (1)
Weight, g/mol:	635.285642
ΔH_f, kcal/mol:	-408.37
Dipole, Da:	5.46
IP(EA), eV:	-9.86(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[4-[2-[6-(4,4,5,5,5-pentafluoropentylsulfanyl)hexylamino]ethoxy]phenyl]-2-phenylbut-1-enyl]phenol

Drug info:

PubChemData

Smile

CCNC(=O)CCCC=CCC1C(CC(C1C=CC(CCC2=CC(=CC=C2)C(F)(F)F)(F)F)O)O

DOS

IR

Vibrations