Geometry & MOs

Info

ID:	230849
PubChem CID:	87572134
Reduced:	FN2O7C21H29 (1)
Stoich.:	AB2C7D21E29 (1)
Weight, g/mol:	279.960439
ΔH_f, kcal/mol:	-328.24
Dipole, Da:	3.87
IP(EA), eV:	-8.89(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,3,3,4,4,5,5,5-nonafluoropentanethioic S-acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC2=C(N(N=C2O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C(C)C)C)F

DOS

IR

Vibrations