Geometry & MOs

Info

ID:

319519

PubChem CID:

126656518

Reduced:

SN2H32C48 (1)

Stoich.:

AB2C32D48 (1)

Weight, g/mol:

684.25992

ΔHf, kcal/mol:

213.59

Dipole, Da:

0.46

IP(EA), eV:

 -8.0(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-methyl-N,N-diphenyl-4-[12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazol-5-yl]cyclohexa-1,3-dien-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=CC=CC=C4C5=C(C=C6C7=CC=CC=C7SC6=C53)C8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations