Geometry & MOs

Info

ID:	312002
PubChem CID:	126600719
Reduced:	NSF3O6C13H14 (1)
Stoich.:	ABC3D6E13F14 (1)
Weight, g/mol:	400.191069
ΔH_f, kcal/mol:	-373.62
Dipole, Da:	2.16
IP(EA), eV:	-9.86(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(5-fluoropyridin-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=NC2=C1CCOCC2)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations