Geometry & MOs

Info

ID:	311485
PubChem CID:	126592953
Reduced:	BrFSO2N4C13H16 (1)
Stoich.:	ABCD2E4F13G16 (1)
Weight, g/mol:	585.98766
ΔH_f, kcal/mol:	-31.14
Dipole, Da:	4.54
IP(EA), eV:	-8.67(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-[(2Z)-2-(3-bromo-4-fluoroanilino)-2-iodoiminoacetyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations