Geometry & MOs

Info

ID:	313563
PubChem CID:	126615903
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	427.126752
ΔH_f, kcal/mol:	-81.49
Dipole, Da:	2.67
IP(EA), eV:	-8.82(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C2=NC3=C(CCOCC3)C(=C2)C(=O)NC4=NC=CS4

DOS

IR

Vibrations