Geometry & MOs

Info

ID:	311534
PubChem CID:	126593607
Reduced:	BrFSN4O5C22H24 (1)
Stoich.:	ABCD4E5F22G24 (1)
Weight, g/mol:	470.00597
ΔH_f, kcal/mol:	-148.91
Dipole, Da:	6.79
IP(EA), eV:	-9.56(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(3-bromo-4-fluorophenyl)imino-2-(hydroxyamino)acetyl]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)N2CCC(CC2)C(=O)C(=NC3=CC(=C(C=C3)F)Br)NO

DOS

IR

Vibrations