Geometry & MOs

Info

ID:	207815
PubChem CID:	80452912
Reduced:	FON3H6C13 (1)
Stoich.:	ABC3D6E13 (1)
Weight, g/mol:	256.068177
ΔH_f, kcal/mol:	44.79
Dipole, Da:	3.71
IP(EA), eV:	-10.1(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-carbamothioyl-3-fluorophenoxy)butanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OC2=NC=CC(=C2)C#N)F)C#N

DOS

IR

Vibrations