Geometry & MOs

Info

ID:

316369

PubChem CID:

126630822

Reduced:

SN2H14C25 (3)

Stoich.:

AB2C14D25 (3)

Weight, g/mol:

1171.28371

ΔHf, kcal/mol:

390.85

Dipole, Da:

1.92

IP(EA), eV:

 -8.23(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[3-[6-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]-4-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=NC(=NC(=N5)C6=CC(=CC=C6)N7C8=C(C9=CC=CC=C97)C1=C(C=C8)C2=CC=CC=C2S1)C1=CC(=CC=C1)N1C2=C(C4=CC=CC=C41)C1=C(C=C2)C2=CC=CC=C2S1)C=CC1=C3SC2=CC=CC=C12

DOS

IR

Vibrations