Geometry & MOs

Info

ID:

396876

PubChem CID:

135029377

Reduced:

O5H32C53 (1)

Stoich.:

A5B32C53 (1)

Weight, g/mol:

744.193674

ΔHf, kcal/mol:

401.03

Dipole, Da:

16.54

IP(EA), eV:

 -7.8(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19,21,38,40-tetramethoxypentadecacyclo[35.10.2.02,15.03,8.04,46.09,14.013,18.016,29.017,22.023,28.027,32.030,48.031,36.041,49.042,47]nonatetraconta-1(48),2,4,7,9(14),10,12,15,17(22),18,20,23,25,27(32),28,30,33,35,37(49),38,40,42,44,46-tetracosaen-6-one

Drug info:

PubChemData

Smile

COC1=CC(=C2C3=CC=CC4=C5C=CC=C6C5=C7C(=C43)C8=C(C9=CC=CC=C9C1=C28)C(=C1C=CC(=O)C=C1)C1=C7C2=C(C3=CC=CC=C31)C(=CC(=C62)OC)OC)OC

DOS

IR

Vibrations