Geometry & MOs

Info

ID:	249274
PubChem CID:	103088257
Reduced:	BrFNSCl2O2H9C13 (1)
Stoich.:	ABCDE2F2G9H13 (1)
Weight, g/mol:	301.04998
ΔH_f, kcal/mol:	-88.93
Dipole, Da:	3.59
IP(EA), eV:	-9.65(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4,6-dimethyl-N-(4-methylsulfanylbutyl)aniline

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NS(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl)Br

DOS

IR

Vibrations