Geometry & MOs

Info

ID:	315716
PubChem CID:	126628610
Reduced:	SN3O3F4C27H33 (1)
Stoich.:	AB3C3D4E27F33 (1)
Weight, g/mol:	632.40769
ΔH_f, kcal/mol:	-300.65
Dipole, Da:	6.77
IP(EA), eV:	-8.52(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(4-tert-butyl-2-ethyl-6-methylphenoxy)acetyl]oxy-1-adamantyl] 2-(4-tert-butyl-2-ethyl-6-methylphenoxy)acetate

Drug info:

PubChemData

Smile

CC(C)S(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)OC3CCN(CC3)C4=CC=C(C=C4)C(F)(F)F)F

DOS

IR

Vibrations