Geometry & MOs

Info

ID:	61327
PubChem CID:	26708204
Reduced:	F2N3O4H11C14 (1)
Stoich.:	A2B3C4D11E14 (1)
Weight, g/mol:	352.077869
ΔH_f, kcal/mol:	-144.66
Dipole, Da:	6.67
IP(EA), eV:	-9.95(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)F)F)NC(=O)C2=CC(=CNC2=O)[N+](=O)[O-]

DOS

IR

Vibrations