Geometry & MOs

Info

ID:

318503

PubChem CID:

126651546

Reduced:

SCl2F3N4O4C38H45 (1)

Stoich.:

AB2C3D4E4F38G45 (1)

Weight, g/mol:

1022.434848

ΔHf, kcal/mol:

-294.05

Dipole, Da:

1.42

IP(EA), eV:

 -8.75(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[3-[N-methyl-4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]anilino]phenyl]methyl]-N-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-10-amine

Drug info:

PubChemData

Smile

CC(C)(CCN)OCCC(C)(C)OC1=NC2=C(C=C(C=C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(=C1)NC5CCN(CC5)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations