Geometry & MOs

Info

ID:	13457
PubChem CID:	233760
Reduced:	NSO3C13H20 (2)
Stoich.:	ABC3D13E20 (2)
Weight, g/mol:	540.232779
ΔH_f, kcal/mol:	-185.04
Dipole, Da:	8.35
IP(EA), eV:	-8.42(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(dipropylamino) 4-[(4-dipropylsulfinamoyloxyphenoxy)methoxymethyl]benzenesulfinate

Drug info:

PubChemData

Smile

CCCN(CCC)OS(=O)C1=CC=C(C=C1)COCOC2=CC=C(C=C2)OS(=O)N(CCC)CCC

DOS

IR

Vibrations