Geometry & MOs

Info

ID:	62311
PubChem CID:	26719138
Reduced:	BrO2N3H16C21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	360.90721
ΔH_f, kcal/mol:	29.35
Dipole, Da:	8.85
IP(EA), eV:	-8.88(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-2,4-dichloro-5-fluorobenzamide

Drug info:

PubChemData

Smile

C1=CC2=NC(=CN2C=C1)COC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations