Geometry & MOs

Info

ID:

410217

PubChem CID:

135083008

Reduced:

SO2H26C28 (1)

Stoich.:

AB2C26D28 (1)

Weight, g/mol:

1072.406902

ΔHf, kcal/mol:

101.17

Dipole, Da:

3.73

IP(EA), eV:

 -9.0(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

78-ethyl-78-methylundecaspiro[2.4.28.4.215.4.222.4.229.4.236.4.243.4.250.4.257.4.264.4.271.93]dooctaconta-4,6,11,13,18,20,25,27,32,34,39,41,46,48,53,55,60,62,67,69,74,76,79,81-tetracosayne

Drug info:

PubChemData

Smile

COC(=O)CCC(C#CC#C/C=C/C/C=C/C=C/C1=CC=CC=C1)SC2=CC=CC=C2

DOS

IR

Vibrations