Geometry & MOs

Info

ID:	208004
PubChem CID:	80480414
Reduced:	Br2N2O2S2C13H14 (1)
Stoich.:	A2B2C2D2E13F14 (1)
Weight, g/mol:	299.9932
ΔH_f, kcal/mol:	-11.02
Dipole, Da:	7.18
IP(EA), eV:	-9.25(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[[(3-bromothiophen-2-yl)methylamino]methyl]furan-2-yl]methanamine

Drug info:

PubChemData

Smile

CNCC1=CC(=C(C=C1)Br)S(=O)(=O)NCC2=C(C=CS2)Br

DOS

IR

Vibrations