Geometry & MOs

Info

ID:

440927

PubChem CID:

135232284

Reduced:

NOH23C38 (1)

Stoich.:

ABC23D38 (1)

Weight, g/mol:

525.155121

ΔHf, kcal/mol:

226.58

Dipole, Da:

2.59

IP(EA), eV:

 -7.85(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(3-phenylphenyl)-27-thia-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18,20(28),21,23,25-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=CC=CC=C4C5=C3C6=C(C=CC7=C6OC8=CC=CC=C78)C9=CC=CC=C95

DOS

IR

Vibrations