Geometry & MOs

Info

ID:	311530
PubChem CID:	126593579
Reduced:	BrFO3N5C19H19 (1)
Stoich.:	ABC3D5E19F19 (1)
Weight, g/mol:	390.01614
ΔH_f, kcal/mol:	-48.02
Dipole, Da:	4.46
IP(EA), eV:	-9.41(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(aminosulfanylamino)methyl]cyclobutyl]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxoethanimidamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C(=NC2=CC(=C(C=C2)F)Br)NO)C(=O)NC3=CC=CC=N3

DOS

IR

Vibrations