Geometry & MOs

Info

ID:

440931

PubChem CID:

135232296

Reduced:

N2H15C22 (2)

Stoich.:

A2B15C22 (2)

Weight, g/mol:

524.159872

ΔHf, kcal/mol:

228.53

Dipole, Da:

0.91

IP(EA), eV:

 -8.22(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-diphenyl-27-thiaheptacyclo[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

CC1(C2=CC=CC=C2C3=C1C4=C(C=CC5=C4N(C6=CC=CC=C56)C7=NC(=NC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C13)C

DOS

IR

Vibrations