Geometry & MOs

Info

ID:	146407
PubChem CID:	53684979
Reduced:	SO4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	496.424008
ΔH_f, kcal/mol:	-131.67
Dipole, Da:	5.33
IP(EA), eV:	-9.12(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,2-dimethylpropyl(propan-2-ylcarbamoyl)carbamoyl]nonadecanoic acid

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC=C1S(=O)(=O)CCC)OCC2=CC=CC=C2

DOS

IR

Vibrations