Geometry & MOs

Info

ID:	311407
PubChem CID:	126591595
Reduced:	F3O5C15H21 (1)
Stoich.:	A3B5C15D21 (1)
Weight, g/mol:	354.129023
ΔH_f, kcal/mol:	-333.79
Dipole, Da:	4.13
IP(EA), eV:	-9.64(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R,6S,7R)-4,6-dimethoxy-7-[(2R,3R)-2-methyl-3-[2-(trifluoromethoxy)ethyl]oxiran-2-yl]-1-oxaspiro[2.5]octan-5-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)[C@H]([C@@H](C[C@@]12CO2)[C@@]3([C@H](O3)CCOC(F)(F)F)C)OC

DOS

IR

Vibrations