Geometry & MOs

Info

ID:

329507

PubChem CID:

126737693

Reduced:

NOH29C50 (1)

Stoich.:

ABC29D50 (1)

Weight, g/mol:

455.134385

ΔHf, kcal/mol:

185.23

Dipole, Da:

1.26

IP(EA), eV:

 -8.25(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-(2-methylsulfinylphenyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=C(C=C3)C4=CC(=CC=C4)N5C6=CC=CC=C6C7=C5C8=C(C=C7)C9=C(C1=CC=CC=C18)OC1=CC=CC=C19)C1=CC=CC=C21

DOS

IR

Vibrations