Geometry & MOs

Info

ID:	328494
PubChem CID:	126723429
Reduced:	FOSN5C22H22 (1)
Stoich.:	ABCD5E22F22 (1)
Weight, g/mol:	452.05431
ΔH_f, kcal/mol:	81.0
Dipole, Da:	3.7
IP(EA), eV:	-9.2(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N'-[2-(2-fluoro-5-iodophenyl)propan-2-yl]-1-methyl-1-oxo-1lambda6-thia-2,7-diazacyclohept-7-ene-2-carboximidamide

Drug info:

PubChemData

Smile

CN=C(N)N1CCCCN=S1(=O)CC2=C(C=CC(=C2)C#CC3=CC=C(C=C3)C#N)F

DOS

IR

Vibrations