Geometry & MOs

Info

ID:	145101
PubChem CID:	53461872
Reduced:	ClO8C15H21 (1)
Stoich.:	AB8C15D21 (1)
Weight, g/mol:	689.398641
ΔH_f, kcal/mol:	-341.26
Dipole, Da:	1.72
IP(EA), eV:	-9.18(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[19-amino-6-(3,4-dicarboxybutanoyloxy)-18-hydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCC(COC2C(C(C(C(O2)CO)O)O)O)O)Cl

DOS

IR

Vibrations