Geometry & MOs

Info

ID:	249373
PubChem CID:	103089011
Reduced:	FSCl2N2O2C12H17 (1)
Stoich.:	ABC2D2E2F12G17 (1)
Weight, g/mol:	280.160935
ΔH_f, kcal/mol:	-131.24
Dipole, Da:	4.48
IP(EA), eV:	-9.49(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-5-methylsulfanylpentan-1-amine

Drug info:

PubChemData

Smile

CCC(CC)(CN)NS(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl

DOS

IR

Vibrations