Geometry & MOs

Info

ID:	202853
PubChem CID:	79733831
Reduced:	ClFSH4N4C7 (1)
Stoich.:	ABCD4E4F7 (1)
Weight, g/mol:	259.125154
ΔH_f, kcal/mol:	41.13
Dipole, Da:	1.92
IP(EA), eV:	-9.33(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-chloro-3-fluoropyridin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1F)SC2=NC=NN2)Cl

DOS

IR

Vibrations