Geometry & MOs

Info

ID:	327934
PubChem CID:	126691425
Reduced:	F3O4C24H33 (1)
Stoich.:	A3B4C24D33 (1)
Weight, g/mol:	449.238908
ΔH_f, kcal/mol:	-356.96
Dipole, Da:	2.53
IP(EA), eV:	-9.76(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,3R)-2-(2-cyclopropylethyl)-6,6,6-trifluoro-3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]hexanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H](CCC1CC1)[C@@H](CCCC(F)(F)F)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations