Geometry & MOs

Info

ID:	448061
PubChem CID:	135288103
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	342.047775
ΔH_f, kcal/mol:	-112.63
Dipole, Da:	5.14
IP(EA), eV:	-8.51(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethoxy-1,1,1,2,3,3,4,4-octafluoro-2-(trifluoromethyl)hexane

Drug info:

PubChemData

Smile

CC1(CC2=C(C(O1)(C)C)SC(=C2C(=O)N)NC3=CC=CC=C3O)C

DOS

IR

Vibrations