Geometry & MOs

Info

ID:	45619
PubChem CID:	10515683
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	262.997176
ΔH_f, kcal/mol:	-2.49
Dipole, Da:	5.52
IP(EA), eV:	-9.34(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-1-fluorobenzo[b][1,4]benzothiazepine

Drug info:

PubChemData

Smile

CN1CC2(CC3=CC=CC=C3C(C2)(C1)NO)[N+](=O)[O-]

DOS

IR

Vibrations