Geometry & MOs

Info

ID:

215122

PubChem CID:

85084190

Reduced:

NO12C38H45 (1)

Stoich.:

AB12C38D45 (1)

Weight, g/mol:

707.388076

ΔHf, kcal/mol:

-493.0

Dipole, Da:

3.97

IP(EA), eV:

 -9.07(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[13-acetyloxy-15-[3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-1,5,8,14-tetramethyl-2,11-dioxo-6,10-dioxatricyclo[14.2.1.05,7]nonadec-3-en-18-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CC2C(C(C(C(C2(C3C14OC(=O)C(O4)(C(C3OC(=O)C5=CC=CC=C5)CNC)C)C)OC(=O)C6=CC=CC=C6)OC(=O)C)O)(C)C

DOS

IR

Vibrations