Geometry & MOs

Info

ID:

436254

PubChem CID:

135195813

Reduced:

NOH35C53 (1)

Stoich.:

ABC35D53 (1)

Weight, g/mol:

767.264671

ΔHf, kcal/mol:

198.41

Dipole, Da:

1.61

IP(EA), eV:

 -7.98(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-yl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=C(C=C7)C8=CC9=CC1=C(C=C9C=C8)C2=CC=CC=C2O1

DOS

IR

Vibrations