Geometry & MOs

Info

ID:

447058

PubChem CID:

135279899

Reduced:

ClSN2H21C34 (1)

Stoich.:

ABC2D21E34 (1)

Weight, g/mol:

745.255169

ΔHf, kcal/mol:

140.1

Dipole, Da:

2.64

IP(EA), eV:

 -7.85(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[9-[2-(4,6-diphenylpyrimidin-2-yl)ethyl]-9H-fluoren-3-yl]-8-thia-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2(7),3,5,9,11,13(23),14,16,18(24),19,21-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)NC6=C(S5)C=CC=C6Cl)C7=C2C=CC8=CC=CC=C87

DOS

IR

Vibrations