Geometry & MOs

Info

ID:

329546

PubChem CID:

126737986

Reduced:

SN3H27C48 (1)

Stoich.:

AB3C27D48 (1)

Weight, g/mol:

714.21297

ΔHf, kcal/mol:

257.33

Dipole, Da:

3.15

IP(EA), eV:

 -8.07(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-carbazol-9-yl-19-naphthalen-2-yl-9-thia-19-azaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3(8),4,6,11,13,15,18(26),20,22,24,27,29,31-pentadecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=C2C4=CC=CC=C4C=C3)N5C6=CC=CC=C6C7=C5C8=C(C9=CC=CC=C97)C1=C(C2=CC=CC=C28)SC2=CC=CC=C21

DOS

IR

Vibrations