Geometry & MOs

Info

ID:	328491
PubChem CID:	126723367
Reduced:	FN2O2H15C20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	443.153972
ΔH_f, kcal/mol:	-20.46
Dipole, Da:	1.1
IP(EA), eV:	-9.3(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-N-[4-fluoro-3-[[2-(N'-methylcarbamimidoyl)-1-oxo-1lambda6-thia-2,7-diazacyclohept-7-en-1-yl]methyl]phenyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C\1C2=C(C=CC(=C2)C=O)C(/C1=C/C3=CC(=NN3)C4=CC=C(C=C4)F)O

DOS

IR

Vibrations