Geometry & MOs

Info

ID:	169495
PubChem CID:	75110877
Reduced:	ClSO10C21H25 (1)
Stoich.:	ABC10D21E25 (1)
Weight, g/mol:	525.293782
ΔH_f, kcal/mol:	-436.24
Dipole, Da:	3.15
IP(EA), eV:	-9.22(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

19-(2-amino-2-oxoethyl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,11-trienedioic acid

Drug info:

PubChemData

Smile

CC(CC(C(C(C=CCC1=CC2=C(C(=CC(=C2Cl)O)O)C(=O)O1)O)SCC(C(=O)O)O)O)O

DOS

IR

Vibrations