Geometry & MOs

Info

ID:	249281
PubChem CID:	103088292
Reduced:	BrFNCl2O2S2H7C11 (1)
Stoich.:	ABCD2E2F2G7H11 (1)
Weight, g/mol:	191.134385
ΔH_f, kcal/mol:	-70.37
Dipole, Da:	2.98
IP(EA), eV:	-9.53(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropoxy)-4-methylsulfanylbutan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1S(=O)(=O)NCC2=CC=C(S2)Br)Cl)F)Cl

DOS

IR

Vibrations