Geometry & MOs

Info

ID:	313770
PubChem CID:	126617532
Reduced:	NPSF3O5C10H11 (1)
Stoich.:	ABCD3E5F10G11 (1)
Weight, g/mol:	348.098742
ΔH_f, kcal/mol:	-349.17
Dipole, Da:	2.64
IP(EA), eV:	-9.34(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methoxypyridazin-3-yl)-2-oxo-1-phosphanyl-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCC2=C1C(=CC(=O)N2P)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations