Geometry & MOs

Info

ID:	27138
PubChem CID:	815317
Reduced:	FN2O2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	306.176585
ΔH_f, kcal/mol:	-60.56
Dipole, Da:	3.93
IP(EA), eV:	-9.45(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3,5,5-trimethyl-1-[(2S)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]hexan-1-one

Drug info:

PubChemData

Smile

CC1=NN([C@@](C1)(C2=CC=C(C=C2)F)O)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations