Geometry & MOs

Info

ID:	18889
PubChem CID:	550476
Reduced:	NO3H9F14C16 (1)
Stoich.:	AB3C9D14E16 (1)
Weight, g/mol:	529.035887
ΔH_f, kcal/mol:	-798.1
Dipole, Da:	3.84
IP(EA), eV:	-10.23(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-1-phenylethyl] 2,2,3,3,4,4,4-heptafluorobutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CNC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F

DOS

IR

Vibrations