Geometry & MOs

Info

ID:	311536
PubChem CID:	126593610
Reduced:	BrFN4O4C22H24 (1)
Stoich.:	ABC4D4E22F24 (1)
Weight, g/mol:	579.9077
ΔH_f, kcal/mol:	-109.71
Dipole, Da:	5.53
IP(EA), eV:	-9.09(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2Z)-2-(3-bromo-4-fluoroanilino)-2-iodoiminoacetyl]piperidin-1-yl]-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)N2CCC(CC2)C(=O)C(=NC3=CC(=C(C=C3)F)Br)NO

DOS

IR

Vibrations