Geometry & MOs

Info

ID:	402028
PubChem CID:	135053927
Reduced:	NSF2O2H21C22 (1)
Stoich.:	ABC2D2E21F22 (1)
Weight, g/mol:	312.191229
ΔH_f, kcal/mol:	-106.06
Dipole, Da:	4.08
IP(EA), eV:	-9.15(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R,6S)-4-hexyl-2,2,4,6-tetramethyl-5-(trifluoromethyl)-1,3-dioxan-5-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN[C@H](CC(F)(F)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations