Geometry & MOs

Info

ID:	61135
PubChem CID:	26705993
Reduced:	FSN2O6H23C25 (1)
Stoich.:	ABC2D6E23F25 (1)
Weight, g/mol:	394.03283
ΔH_f, kcal/mol:	-201.54
Dipole, Da:	6.2
IP(EA), eV:	-9.18(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-fluoro-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)F)NC(=O)[C@H]4CC5=CC=CC=C5O4

DOS

IR

Vibrations