Geometry & MOs

Info

ID:	159700
PubChem CID:	57288642
Reduced:	OSC22H22 (1)
Stoich.:	ABC22D22 (1)
Weight, g/mol:	604.35798
ΔH_f, kcal/mol:	34.04
Dipole, Da:	2.46
IP(EA), eV:	-8.82(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1-octadecoxy-2-pyrimidin-2-yloxypropan-2-yl)sulfanylethoxy]propane-1-sulfonic acid

Drug info:

PubChemData

Smile

COC(CS)C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations