Geometry & MOs

Info

ID:	403980
PubChem CID:	135063926
Reduced:	NH4F5C15 (1)
Stoich.:	AB4C5D15 (1)
Weight, g/mol:	437.332751
ΔH_f, kcal/mol:	-86.4
Dipole, Da:	2.03
IP(EA), eV:	-9.78(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-butyl-3-dodecylsulfanylpyrrol-1-yl)butanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#CC2=C(C(=C(C(=C2F)F)F)F)F)C#N

DOS

IR

Vibrations