Geometry & MOs

Info

ID:

169641

PubChem CID:

75130354

Reduced:

NO2C11H12 (2)

Stoich.:

AB2C11D12 (2)

Weight, g/mol:

870.461301

ΔHf, kcal/mol:

-116.63

Dipole, Da:

5.12

IP(EA), eV:

 -8.55(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,5-diacetyloxy-6-[[3,5-dihydroxy-6-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methoxy]-2-methyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)OCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

DOS

IR

Vibrations