Geometry & MOs

Info

ID:	40791
PubChem CID:	8144703
Reduced:	SN3O3C15H19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	314.117904
ΔH_f, kcal/mol:	-46.9
Dipole, Da:	5.1
IP(EA), eV:	-8.84(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[(Z)-[4-oxo-4-(pyridin-3-ylamino)butan-2-ylidene]amino]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NN(C(=S)O2)CN3CCOCC3

DOS

IR

Vibrations