Geometry & MOs

Info

ID:	262360
PubChem CID:	103288269
Reduced:	ClFNOSC15H15 (1)
Stoich.:	ABCDEF15G15 (1)
Weight, g/mol:	279.048463
ΔH_f, kcal/mol:	-58.39
Dipole, Da:	2.93
IP(EA), eV:	-8.55(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorophenyl)methylsulfanyl]-5-methoxyaniline

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)SCC2=CC=CC=C2Cl)N)F

DOS

IR

Vibrations