Geometry & MOs

Info

ID:	158770
PubChem CID:	56468366
Reduced:	ClFO3N5H19C23 (1)
Stoich.:	ABC3D5E19F23 (1)
Weight, g/mol:	408.97413
ΔH_f, kcal/mol:	-20.55
Dipole, Da:	8.8
IP(EA), eV:	-9.17(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)OC)F

DOS

IR

Vibrations