Geometry & MOs

Info

ID:	311531
PubChem CID:	126593580
Reduced:	BrFSO2N4C13H16 (1)
Stoich.:	ABCD2E4F13G16 (1)
Weight, g/mol:	420.0267
ΔH_f, kcal/mol:	-18.18
Dipole, Da:	3.17
IP(EA), eV:	-8.74(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-(1-sulfinamoylazepan-4-yl)ethanimidamide

Drug info:

PubChemData

Smile

C1C(CC1C(=O)C(=NC2=CC(=C(C=C2)F)Br)NO)CNSN

DOS

IR

Vibrations