Geometry & MOs

Info

ID:

377141

PubChem CID:

134223179

Reduced:

SN4H36C53 (1)

Stoich.:

AB4C36D53 (1)

Weight, g/mol:

580.19732

ΔHf, kcal/mol:

243.89

Dipole, Da:

1.66

IP(EA), eV:

 -8.12(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[3-(3-carbazol-9-ylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC3=C(C=C2)N(C4=CC=CC=C43)C5=CC6=C(C=C5)SC7=CC=CC=C76)C8=C(C=CC(=C8)C9=NC(=NC(=N9)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations