Geometry & MOs

Info

ID:

52683

PubChem CID:

12015677

Reduced:

O7C69H88 (1)

Stoich.:

A7B69C88 (1)

Weight, g/mol:

879.80354

ΔHf, kcal/mol:

-290.69

Dipole, Da:

1.93

IP(EA), eV:

 -8.36(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,5,8,13,16,19,22,27,29,34,35,36,37,38,43,44-hexadecathiaheptacyclo[18.8.6.66,15.13,28.14,7.114,17.118,21]tetratetraconta-1(28),3,6,14,17,20-hexaene

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OCC4CO4)CC5=CC(=CC(=C5O)CC6=CC(=CC(=C6O)CC7=C(C(=CC(=C7)C(C)(C)C)CC8=C(C(=CC(=C8)C(C)(C)C)C2)O)O)C(C)(C)C)C(C)(C)C)C(C)(C)C)O

DOS

IR

Vibrations