Geometry & MOs

Info

ID:	139749
PubChem CID:	52589287
Reduced:	ClINO3C17H17 (1)
Stoich.:	ABCD3E17F17 (1)
Weight, g/mol:	461.00365
ΔH_f, kcal/mol:	-68.38
Dipole, Da:	6.33
IP(EA), eV:	-8.54(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)OC)OC)NC(=O)C2=C(C=C(C=C2)Cl)I

DOS

IR

Vibrations