Geometry & MOs

Info

ID:	438583
PubChem CID:	135228327
Reduced:	SN2F3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	230.064447
ΔH_f, kcal/mol:	-156.9
Dipole, Da:	2.55
IP(EA), eV:	-8.99(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(3-methylbutan-2-ylsulfanyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC(C)C(C)SC1=C(C(=NC=C1)N)C(F)(F)F

DOS

IR

Vibrations