Geometry & MOs

Info

ID:	26142
PubChem CID:	639208
Reduced:	OSC17H24 (1)
Stoich.:	ABC17D24 (1)
Weight, g/mol:	439.02561
ΔH_f, kcal/mol:	-43.76
Dipole, Da:	1.82
IP(EA), eV:	-8.13(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[[(2R)-5-iodo-3,4-dihydro-2H-pyran-2-yl]methyl]-N-[(1R)-1-phenylethyl]acetamide

Drug info:

PubChemData

Smile

CCC[C@H](C)[C@@H]1[C@@H](C(=C(O1)C)SC2=CC=CC=C2)C

DOS

IR

Vibrations