Geometry & MOs

Info

ID:	426325
PubChem CID:	135143420
Reduced:	SF2O3N4C19H20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	228.048797
ΔH_f, kcal/mol:	-125.29
Dipole, Da:	7.75
IP(EA), eV:	-9.29(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloropyridin-3-yl)sulfanyl-2-methylidenebutan-1-amine

Drug info:

PubChemData

Smile

CN=C(C1CCC(S1(=O)=O)C2=C(C=CC(=C2)/C=C(/C3=CN=C(C=N3)OC)\F)F)N

DOS

IR

Vibrations