Geometry & MOs

Info

ID:	262361
PubChem CID:	103288288
Reduced:	ClNOSC14H14 (1)
Stoich.:	ABCDE14F14 (1)
Weight, g/mol:	280.043712
ΔH_f, kcal/mol:	-8.6
Dipole, Da:	0.66
IP(EA), eV:	-8.51(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methylsulfanyl]-6-methoxypyridin-3-amine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)N)SCC2=CC=CC=C2Cl

DOS

IR

Vibrations