Geometry & MOs

Info

ID:	158739
PubChem CID:	56468241
Reduced:	FSO5N6C21H23 (1)
Stoich.:	ABC5D6E21F23 (1)
Weight, g/mol:	498.085473
ΔH_f, kcal/mol:	-123.91
Dipole, Da:	11.48
IP(EA), eV:	-9.45(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-2-nitrophenoxy)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)CC3=CC(=C(C=C3)OC)S(=O)(=O)N4CCOCC4)F

DOS

IR

Vibrations