Geometry & MOs

Info

ID:	313010
PubChem CID:	126610764
Reduced:	SN2F3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	447.205716
ΔH_f, kcal/mol:	-129.79
Dipole, Da:	5.79
IP(EA), eV:	-8.66(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6,6-trimethyloxan-2-yl]oxy-2-(3-fluorophenyl)-3-hydroxyphenyl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C1=CN(C2=C1C=CC(=N2)C(F)(F)F)C)SC

DOS

IR

Vibrations