Geometry & MOs

Info

ID:	311408
PubChem CID:	126591596
Reduced:	FO2C5H7 (3)
Stoich.:	AB2C5D7 (3)
Weight, g/mol:	342.109036
ΔH_f, kcal/mol:	-363.57
Dipole, Da:	4.18
IP(EA), eV:	-9.6(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R,6S,7R)-4-fluoro-6-methoxy-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@]1([C@H](O1)CCOC(F)(F)F)[C@@H]2C[C@@]3(CO3)[C@H](C(=O)[C@H]2OC)OC

DOS

IR

Vibrations