Geometry & MOs

Info

ID:	208003
PubChem CID:	80480413
Reduced:	BrO2S2N3C13H16 (1)
Stoich.:	AB2C2D3E13F16 (1)
Weight, g/mol:	453.8843
ΔH_f, kcal/mol:	-14.82
Dipole, Da:	8.11
IP(EA), eV:	-9.09(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-(methylaminomethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCNCC1=CN=C(C=C1)S(=O)(=O)NCC2=C(C=CS2)Br

DOS

IR

Vibrations