Geometry & MOs

Info

ID:

379364

PubChem CID:

134419182

Reduced:

ON5H75C116 (1)

Stoich.:

AB5C75D116 (1)

Weight, g/mol:

675.295971

ΔHf, kcal/mol:

500.18

Dipole, Da:

2.01

IP(EA), eV:

 -7.78(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-[4-(trimethyl-lambda4-sulfanyl)phenyl]-9,9'-spirobi[fluorene]-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)CC3=CC=CC=C3N(C4=CC=C(C=C4)C5=CC(=CC=C5)N(C6=CC=CC=C6)C7=CC8=C(C=C7)C9=CC=CC=C9C81C2=C(C=CC(=C2)C#N)C2=C1C=C(C=C2)C#N)C1=CC2=C(C=C1)C1=C(C22C3=CC=CC=C3C3=CC=CC=C23)C=C(C=C1)CO)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations