Geometry & MOs

Info

ID:	206426
PubChem CID:	80249519
Reduced:	NS2O5C11H11 (1)
Stoich.:	AB2C5D11E11 (1)
Weight, g/mol:	349.0136
ΔH_f, kcal/mol:	-132.01
Dipole, Da:	1.34
IP(EA), eV:	-9.18(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-1-benzofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CSC=C1CNS(=O)(=O)C2=CC=C(O2)C(=O)O

DOS

IR

Vibrations