Geometry & MOs

Info

ID:	37764
PubChem CID:	8024178
Reduced:	BrFNOH11C14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	408.02402
ΔH_f, kcal/mol:	-44.8
Dipole, Da:	4.8
IP(EA), eV:	-8.96(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)C2=CC(=CC=C2)F

DOS

IR

Vibrations