Geometry & MOs

Info

ID:

439660

PubChem CID:

135229447

Reduced:

O2S2N7C30H37 (1)

Stoich.:

A2B2C7D30E37 (1)

Weight, g/mol:

867.350115

ΔHf, kcal/mol:

56.6

Dipole, Da:

4.38

IP(EA), eV:

 -8.44(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-dimethyl-N-(3-phenylphenyl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)fluoren-4-amine

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C\2=NN/C(=C/C=C)/C2=C\CNC(=O)[C@@]3(CCN(C3)CC(=O)C4CCN(CC4)C5=NC=CS5)SC

DOS

IR

Vibrations