Geometry & MOs

Info

ID:	343890
PubChem CID:	127267066
Reduced:	BrFN2O2C12H14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	349.146013
ΔH_f, kcal/mol:	-107.85
Dipole, Da:	2.3
IP(EA), eV:	-10.15(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(azepan-1-yl)anilino]methyl]furan-2-sulfonamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)COC2=C(C(=NC=C2)Br)F

DOS

IR

Vibrations