Geometry & MOs

Info

ID:	47227
PubChem CID:	10530758
Reduced:	NS2O7H27C28 (1)
Stoich.:	AB2C7D27E28 (1)
Weight, g/mol:	553.470624
ΔH_f, kcal/mol:	-196.39
Dipole, Da:	11.96
IP(EA), eV:	-9.57(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(13-methyltetradecanoyloxy)hexadecanoylamino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC(=CC(=N2)COS(=O)(=O)C3=CC=C(C=C3)C)OCC4=CC=CC=C4

DOS

IR

Vibrations