Geometry & MOs

Info

ID:	166023
PubChem CID:	74627233
Reduced:	OSN3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	317.132374
ΔH_f, kcal/mol:	67.63
Dipole, Da:	17.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.122901
Charge, e:	1

Chem-info

IUPAC name:

[2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-1-thiophen-3-ylethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)C1=C2C=CC=NC2=CC=C1)C3=CSC=C3

DOS

IR

Vibrations