Geometry & MOs

Info

ID:	314532
PubChem CID:	126622067
Reduced:	SO6C13H18 (1)
Stoich.:	AB6C13D18 (1)
Weight, g/mol:	559.12662
ΔH_f, kcal/mol:	-235.5
Dipole, Da:	6.26
IP(EA), eV:	-10.0(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-benzoyl-4-[3-[dimethyl-[3-(N-sulfinatoanilino)propyl]azaniumyl]propoxy]benzene;bromide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)C(=O)[C@H](C)[C@@H]([C@@H](CO)O)O

DOS

IR

Vibrations