Geometry & MOs

Info

ID:

168991

PubChem CID:

75051853

Reduced:

N2O7C38H44 (1)

Stoich.:

A2B7C38D44 (1)

Weight, g/mol:

716.304406

ΔHf, kcal/mol:

-187.61

Dipole, Da:

6.51

IP(EA), eV:

 -8.31(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5,7,9,10,13-pentaacetyloxy-4-hydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-2-tricyclo[9.3.1.03,8]pentadec-11-enyl] benzoate

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC4=CC=C(C=C4)CC5C6=CC(=C(C(=C6CCN5C)O)OC)OC)O)OC

DOS

IR

Vibrations