Geometry & MOs

Info

ID:	208002
PubChem CID:	80479943
Reduced:	BrSN2F3C12H16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	388.98673
ΔH_f, kcal/mol:	-137.92
Dipole, Da:	2.15
IP(EA), eV:	-9.13(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)pyridine-2-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CCC1NCC2=C(C=CS2)Br)CC(F)(F)F

DOS

IR

Vibrations