Geometry & MOs

Info

ID:	221740
PubChem CID:	85286095
Reduced:	Cl2N3O3H23C36 (1)
Stoich.:	A2B3C3D23E36 (1)
Weight, g/mol:	616.215591
ΔH_f, kcal/mol:	40.75
Dipole, Da:	9.2
IP(EA), eV:	-9.22(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2,6-dimethyl-4-[2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyphenyl]phenoxy]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4C(=O)NC5=CC=C(C=C5)C(=O)C=CC6=C(C=C(C=C6)Cl)Cl

DOS

IR

Vibrations