Geometry & MOs

Info

ID:	328617
PubChem CID:	126726005
Reduced:	N2S2C19H26 (1)
Stoich.:	A2B2C19D26 (1)
Weight, g/mol:	326.111677
ΔH_f, kcal/mol:	39.88
Dipole, Da:	3.22
IP(EA), eV:	-8.21(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,4,4,6,6,6-heptafluorohexyl 2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

C1CCC([C@@H](C1)NCCSC2=CC=CC=C2)NCC3=CC=CS3

DOS

IR

Vibrations