Geometry & MOs

Info

ID:

396774

PubChem CID:

135029181

Reduced:

NSO3H15C26 (1)

Stoich.:

ABC3D15E26 (1)

Weight, g/mol:

658.326707

ΔHf, kcal/mol:

4.34

Dipole, Da:

1.72

IP(EA), eV:

 -8.75(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)heptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaen-16-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2C3=CSC4=CC=CC=C43)C(=O)N5C6=CC=CC=C6OC5=O

DOS

IR

Vibrations