Geometry & MOs

Info

ID:

428204

PubChem CID:

135166511

Reduced:

ClSO3C23H29 (1)

Stoich.:

ABC3D23E29 (1)

Weight, g/mol:

890.329714

ΔHf, kcal/mol:

-34.67

Dipole, Da:

4.14

IP(EA), eV:

 -7.18(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-dibenzofuran-4-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COCC2=C(C=CC(=C2)C(CCC#CS(C)(C)C)O)Cl

DOS

IR

Vibrations