Geometry & MOs

Info

ID:

219310

PubChem CID:

85098660

Reduced:

N10O10C33H62 (1)

Stoich.:

A10B10C33D62 (1)

Weight, g/mol:

771.289326

ΔHf, kcal/mol:

-521.83

Dipole, Da:

5.77

IP(EA), eV:

 -9.31(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

1-[[1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-(4-pyren-1-ylbutanoyloxy)-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]oxy]-3,3,3-trifluoro-1-hydroxyprop-1-ene-2-diazonium

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)CN

DOS

IR

Vibrations