Geometry & MOs

Info

ID:	328493
PubChem CID:	126723419
Reduced:	FOSN6C18H21 (1)
Stoich.:	ABCD6E18F21 (1)
Weight, g/mol:	423.15291
ΔH_f, kcal/mol:	14.69
Dipole, Da:	3.84
IP(EA), eV:	-9.34(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[2-(4-cyanophenyl)ethynyl]-2-fluorophenyl]methyl]-N'-methyl-1-oxo-1lambda6-thia-2,7-diazacyclohept-7-ene-2-carboximidamide

Drug info:

PubChemData

Smile

C[C@]1(CS2(=NCCCCN2C(=N1)N)=O)C3=C(C=CC(=C3)C4=CN=CN=C4)F

DOS

IR

Vibrations