Geometry & MOs

Info

ID:

440018

PubChem CID:

135229890

Reduced:

NOSH43C66 (1)

Stoich.:

ABCD43E66 (1)

Weight, g/mol:

897.342922

ΔHf, kcal/mol:

223.86

Dipole, Da:

1.46

IP(EA), eV:

 -7.96(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-heptacyclo[24.8.0.02,7.08,13.014,23.017,22.027,32]tetratriaconta-1(26),2(7),3,5,8,10,12,14(23),15,17,19,21,27,29,31,33-hexadecaenyl)phenyl]dibenzothiophen-3-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=C(C1=CC=CC=C1C=C9)OC1=C8C=CC2=CC=CC=C21)C1=CC2=C(C=C1)SC1=CC=CC=C12)C

DOS

IR

Vibrations