Geometry & MOs

Info

ID:	309527
PubChem CID:	126547034
Reduced:	SF2O3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	538.157719
ΔH_f, kcal/mol:	-188.73
Dipole, Da:	5.94
IP(EA), eV:	-8.9(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-tert-butyl-4,4-dimethylpentanoyl)oxyethyl 1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC(=C(C=C1F)SC)F)[C@]23CCC(=O)C=C2OCO3

DOS

IR

Vibrations