Geometry & MOs

Info

ID:	317347
PubChem CID:	126636682
Reduced:	NO2F6H7C14 (1)
Stoich.:	AB2C6D7E14 (1)
Weight, g/mol:	400.97327
ΔH_f, kcal/mol:	-317.99
Dipole, Da:	2.6
IP(EA), eV:	-10.31(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-5-fluoro-3-[(4-methylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)OC2=CN=C(C=C2)C(F)(F)F)C=O

DOS

IR

Vibrations