Geometry & MOs

Info

ID:	177147
PubChem CID:	76141420
Reduced:	SO5C24H36 (1)
Stoich.:	AB5C24D36 (1)
Weight, g/mol:	857.579917
ΔH_f, kcal/mol:	-252.17
Dipole, Da:	5.2
IP(EA), eV:	-8.58(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-amino-2-[3-[2,3-di(hexadecanoyloxy)propylsulfanyl]propanoylamino]acetyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CC(CCC1C(CC(=O)C1CCCCCCC(=O)OC)O)(CSC2=CC=CC=C2)O

DOS

IR

Vibrations