Geometry & MOs

Info

ID:	44846
PubChem CID:	10506149
Reduced:	SC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	520.262297
ΔH_f, kcal/mol:	78.11
Dipole, Da:	6.44
IP(EA), eV:	-6.38(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-[2-[(6-fluoropyridin-2-yl)amino]ethyl]-2-N-[2-[[6-[2-[(6-fluoropyridin-2-yl)amino]ethylamino]pyridin-2-yl]amino]ethyl]pyridine-2,6-diamine

Drug info:

PubChemData

Smile

C1C[S+]2CC[S+]1C=C2C3=CC=CC=C3

DOS

IR

Vibrations