Geometry & MOs

Info

ID:

377143

PubChem CID:

134223181

Reduced:

SN3H33C47 (1)

Stoich.:

AB3C33D47 (1)

Weight, g/mol:

582.21297

ΔHf, kcal/mol:

215.31

Dipole, Da:

2.34

IP(EA), eV:

 -8.01(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[3-[(2E,4Z)-1-carbazol-9-ylhexa-2,4-dien-3-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine

Drug info:

PubChemData

Smile

C/C=C\C1=C(SC2=CC=CC=C21)CC3=CC(=CC=C3)C4=CC(=CC=C4)N5C6=C(C=C(C=C6)N7C8=CC=CC=C8C9=C7N=CC=C9)C1=CC=CC=C15

DOS

IR

Vibrations