Geometry & MOs

Info

ID:	140372
PubChem CID:	52687692
Reduced:	ClFO2N4H16C19 (1)
Stoich.:	ABC2D4E16F19 (1)
Weight, g/mol:	419.139368
ΔH_f, kcal/mol:	-56.1
Dipole, Da:	7.12
IP(EA), eV:	-8.97(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[4-[(1S)-1-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)F)NC3=C(C(=O)NN=C3)Cl

DOS

IR

Vibrations