Geometry & MOs

Info

ID:	277491
PubChem CID:	103828934
Reduced:	BrFSN2O2C12H16 (1)
Stoich.:	ABCD2E2F12G16 (1)
Weight, g/mol:	248.155849
ΔH_f, kcal/mol:	-105.26
Dipole, Da:	3.11
IP(EA), eV:	-9.28(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)ethyl]-3,3-dimethylbutane-1-sulfonamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)CN)S(=O)(=O)C2=CC(=C(C=C2)Br)F

DOS

IR

Vibrations