Geometry & MOs

Info

ID:	420469
PubChem CID:	135113294
Reduced:	NSF2O5C15H19 (1)
Stoich.:	ABC2D5E15F19 (1)
Weight, g/mol:	427.190734
ΔH_f, kcal/mol:	-301.9
Dipole, Da:	4.98
IP(EA), eV:	-9.72(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,5S,6R,7R)-3-[(3-fluoro-2-methoxyphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@H]1O)S(=O)(=O)C2=C(C=CC=C2F)F)C(=O)O

DOS

IR

Vibrations