Geometry & MOs

Info

ID:	251264
PubChem CID:	103102550
Reduced:	OSF3N3C12H14 (1)
Stoich.:	ABC3D3E12F14 (1)
Weight, g/mol:	237.093583
ΔH_f, kcal/mol:	-175.08
Dipole, Da:	4.81
IP(EA), eV:	-8.89(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-carbamothioyl-N-ethylanilino)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations