Geometry & MOs

Info

ID:	274147
PubChem CID:	103807344
Reduced:	BrClN2O3H10C14 (1)
Stoich.:	ABC2D3E10F14 (1)
Weight, g/mol:	339.95173
ΔH_f, kcal/mol:	-62.74
Dipole, Da:	3.79
IP(EA), eV:	-8.24(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1,3-benzodioxol-5-yl)-5-bromothiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)N)NC(=O)C3=C(C=CC(=C3)Cl)Br

DOS

IR

Vibrations