Geometry & MOs

Info

ID:	394231
PubChem CID:	135022566
Reduced:	O3C17H24 (1)
Stoich.:	A3B17C24 (1)
Weight, g/mol:	437.142563
ΔH_f, kcal/mol:	-140.73
Dipole, Da:	2.79
IP(EA), eV:	-8.5(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S)-3-[3,5-bis(trifluoromethyl)anilino]-1,14-dioxadispiro[4.0.56.35]tetradecan-2-one

Drug info:

PubChemData

Smile

CCO[C@H]1C[C@@]2(CC(CO2)(C)C)OC3=C(C=CC=C13)C

DOS

IR

Vibrations