Geometry & MOs

Info

ID:	311443
PubChem CID:	126592897
Reduced:	BrO2F3N7H21C23 (1)
Stoich.:	AB2C3D7E21F23 (1)
Weight, g/mol:	586.98291
ΔH_f, kcal/mol:	-101.48
Dipole, Da:	4.31
IP(EA), eV:	-8.77(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C(=NC2=CC(=C(C=C2)F)Br)N)C(=O)NC3=CN=C(C=C3)C4=CN(N=C4)C(F)F

DOS

IR

Vibrations