Geometry & MOs

Info

ID:	54909
PubChem CID:	17389524
Reduced:	NO2S2H23C24 (1)
Stoich.:	AB2C2D23E24 (1)
Weight, g/mol:	374.124846
ΔH_f, kcal/mol:	-7.7
Dipole, Da:	5.18
IP(EA), eV:	-8.54(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[2-[methyl(sulfinato)amino]propyl]-1-benzothiophene;1,4-xylene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)CC3=CSC4=CC=CC=C43

DOS

IR

Vibrations