Geometry & MOs

Info

ID:	61295
PubChem CID:	26708032
Reduced:	SO4N6C21H26 (1)
Stoich.:	AB4C6D21E26 (1)
Weight, g/mol:	304.041483
ΔH_f, kcal/mol:	-41.34
Dipole, Da:	4.5
IP(EA), eV:	-9.12(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[4-(cyanomethoxy)phenyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2N=C(N=N2)COC3=CC=CC=C3)C

DOS

IR

Vibrations