Geometry & MOs

Info

ID:	270155
PubChem CID:	103630691
Reduced:	SN2O5C12H20 (1)
Stoich.:	AB2C5D12E20 (1)
Weight, g/mol:	367.98303
ΔH_f, kcal/mol:	-186.24
Dipole, Da:	4.83
IP(EA), eV:	-9.65(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

COCCOCCCNS(=O)(=O)C1=CC(=C(C=C1)O)N

DOS

IR

Vibrations