Geometry & MOs

Info

ID:	311484
PubChem CID:	126592951
Reduced:	BrFSN3O3C13H14 (1)
Stoich.:	ABCD3E3F13G14 (1)
Weight, g/mol:	390.01614
ΔH_f, kcal/mol:	-93.44
Dipole, Da:	3.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764333
Charge, e:	0

Chem-info

IUPAC name:

2-(1-aminosulfanylpiperidin-4-yl)-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxoethanimidamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C(=NC2=CC(=C(C=C2)F)Br)N)S(=O)[O-]

DOS

IR

Vibrations