Geometry & MOs

Info

ID:

431525

PubChem CID:

135171606

Reduced:

NOH14C24 (2)

Stoich.:

ABC14D24 (2)

Weight, g/mol:

770.202799

ΔHf, kcal/mol:

227.36

Dipole, Da:

3.66

IP(EA), eV:

 -8.2(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-(18,21-dioxa-9-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-14-yl)carbazol-3-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6N5C7=CC8=C(C=C7)OC9=C8C=C1C(=C9)C3=CC=CC=C3O1)C1=CC=CC=C12

DOS

IR

Vibrations