Geometry & MOs

Info

ID:	251261
PubChem CID:	103102533
Reduced:	ClS2N3O3C11H14 (1)
Stoich.:	AB2C3D3E11F14 (1)
Weight, g/mol:	255.084161
ΔH_f, kcal/mol:	-94.75
Dipole, Da:	6.21
IP(EA), eV:	-9.16(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-carbamothioyl-N-ethyl-3-fluoroanilino)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations