Geometry & MOs

Info

ID:	346293
PubChem CID:	127270797
Reduced:	FNSO5C14H16 (1)
Stoich.:	ABCD5E14F16 (1)
Weight, g/mol:	359.116901
ΔH_f, kcal/mol:	-242.58
Dipole, Da:	2.17
IP(EA), eV:	-9.33(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1C(=O)NCC2=CC(=CC3=C2OCOC3)F

DOS

IR

Vibrations