Geometry & MOs

Info

ID:	251262
PubChem CID:	103102543
Reduced:	FOSN3C11H14 (1)
Stoich.:	ABCD3E11F14 (1)
Weight, g/mol:	238.088832
ΔH_f, kcal/mol:	-64.24
Dipole, Da:	3.89
IP(EA), eV:	-8.58(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-carbamothioylpyridin-3-yl)-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=CC(=C(C=C1)C(=S)N)F

DOS

IR

Vibrations