Geometry & MOs

Info

ID:	309768
PubChem CID:	126557975
Reduced:	SN6C20H24 (1)
Stoich.:	AB6C20D24 (1)
Weight, g/mol:	336.153244
ΔH_f, kcal/mol:	118.82
Dipole, Da:	5.73
IP(EA), eV:	-8.36(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N'-(7-fluoro-2,3-dihydro-1,5-naphthyridin-4-yl)piperazine-1-carbothiohydrazide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2CCN(CC2)C(=S)NNC3=C4C(=NCC3)C=CC=N4

DOS

IR

Vibrations