Geometry & MOs

Info

ID:

219302

PubChem CID:

85098613

Reduced:

O5N7C43H51 (1)

Stoich.:

A5B7C43D51 (1)

Weight, g/mol:

746.184685

ΔHf, kcal/mol:

-154.3

Dipole, Da:

5.17

IP(EA), eV:

 -8.51(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl] 11-[3-[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-1,4,5-trihydroxy-14-oxotetracyclo[8.3.1.02,7.08,13]tetradeca-2,4,6,11-tetraene-9-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)N(C)CCC4=CNC5=CC=CC=C54)NC(=O)CNC(=O)C6CCCCC6

DOS

IR

Vibrations