Geometry & MOs

Info

ID:	201265
PubChem CID:	79517050
Reduced:	OSN4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	335.020534
ΔH_f, kcal/mol:	29.02
Dipole, Da:	5.93
IP(EA), eV:	-8.49(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-1-benzothiophen-2-yl)methylsulfanyl]-4-methoxyaniline

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)NC(C)CN3C=CN=C3

DOS

IR

Vibrations