Geometry & MOs

Info

ID:	54362
PubChem CID:	17122068
Reduced:	SO2N3H9C13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	423.165973
ΔH_f, kcal/mol:	5.32
Dipole, Da:	5.61
IP(EA), eV:	-9.45(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-3-imino-5-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2-thiazole-2-carboximidamide

Drug info:

PubChemData

Smile

C1CSC2=NC(=C(C(=O)N21)C#N)C3=CC=CC=C3O

DOS

IR

Vibrations