Geometry & MOs

Info

ID:

440933

PubChem CID:

135232298

Reduced:

OSH18C32 (1)

Stoich.:

ABC18D32 (1)

Weight, g/mol:

448.157563

ΔHf, kcal/mol:

111.69

Dipole, Da:

0.31

IP(EA), eV:

 -8.32(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-methyl-9-phenyl-21-oxa-23,25-diazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.022,27]octacosa-1(17),2(10),3,5,7,11,13,15,18,20(28),22,24,26-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C(=C4C(=C2)C5=CC=CC=C5C6=C4C7=CC=CC=C7O6)C8=CC=CC=C8S3

DOS

IR

Vibrations