Geometry & MOs

Info

ID:	262571
PubChem CID:	103301751
Reduced:	BrSO2N5C11H12 (1)
Stoich.:	ABC2D5E11F12 (1)
Weight, g/mol:	269.082762
ΔH_f, kcal/mol:	4.76
Dipole, Da:	8.46
IP(EA), eV:	-8.57(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)NS(=O)(=O)C2=C(C=CC=N2)NN)Br

DOS

IR

Vibrations