Geometry & MOs

Info

ID:	23222
PubChem CID:	602882
Reduced:	Cl2O7C25H30 (1)
Stoich.:	A2B7C25D30 (1)
Weight, g/mol:	512.136859
ΔH_f, kcal/mol:	-316.88
Dipole, Da:	7.79
IP(EA), eV:	-9.64(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dichloro-2,4-dihydroxy-6-pentylbenzoyl)oxy-2-methoxy-6-pentylbenzoic acid

Drug info:

PubChemData

Smile

CCCCCC1=C(C(=CC(=C1)OC(=O)C2=C(C(=C(C(=C2O)Cl)O)Cl)CCCCC)OC)C(=O)O

DOS

IR

Vibrations