Geometry & MOs

Info

ID:	311998
PubChem CID:	126600714
Reduced:	SF3N4O5H13C15 (1)
Stoich.:	AB3C4D5E13F15 (1)
Weight, g/mol:	421.172559
ΔH_f, kcal/mol:	-258.9
Dipole, Da:	5.56
IP(EA), eV:	-9.85(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pyridazin-3-yl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCC2=C1C(=CC(=N2)OS(=O)(=O)C(F)(F)F)C(=O)NC3=NN=CC=C3

DOS

IR

Vibrations