Geometry & MOs

Info

ID:	53896
PubChem CID:	14718322
Reduced:	NaSO3C16H25 (1)
Stoich.:	ABC3D16E25 (1)
Weight, g/mol:	693.35717
ΔH_f, kcal/mol:	-183.96
Dipole, Da:	5.77
IP(EA), eV:	-9.24(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[19-amino-6-(2,3-dicarboxypropanoyloxy)-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxycarbonylbutanedioic acid

Drug info:

PubChemData

Smile

CCCCCCCCC(C)C1=CC=CC=C1S(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations