Geometry & MOs

Info

ID:	192516
PubChem CID:	78279454
Reduced:	S2O3N5C10H12 (1)
Stoich.:	A2B3C5D10E12 (1)
Weight, g/mol:	260.139902
ΔH_f, kcal/mol:	-41.15
Dipole, Da:	5.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756420
Charge, e:	1

Chem-info

IUPAC name:

[1-(furan-2-yl)-2-(pyridine-4-carbonylamino)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CN1C(=O)C(C(=[N+](C1=O)C)N)C(=O)CSC2=NN=CS2

DOS

IR

Vibrations