Geometry & MOs

Info

ID:	158740
PubChem CID:	56468250
Reduced:	ClFO5N6H16C22 (1)
Stoich.:	ABC5D6E16F22 (1)
Weight, g/mol:	405.02367
ΔH_f, kcal/mol:	-14.33
Dipole, Da:	7.39
IP(EA), eV:	-9.68(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)C3=CC(=C(C=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-])OC)F

DOS

IR

Vibrations