Geometry & MOs

Info

ID:

181312

PubChem CID:

76729838

Reduced:

ClSN4O9C41H49 (1)

Stoich.:

ABC4D9E41F49 (1)

Weight, g/mol:

1120.851251

ΔHf, kcal/mol:

-318.41

Dipole, Da:

2.6

IP(EA), eV:

 -9.35(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)-N-[2,3,5,6-tetramethyl-4-[3-[2,3,5,6-tetramethyl-4-[3-[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethyl-N-(2,3,4,5,6-pentamethylphenyl)anilino)phenyl]but-2-en-2-yl]phenyl]but-2-en-2-yl]phenyl]aniline

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC=C(C=C1)CC(=O)N2CC(CC2C(=O)CC(CCCCNC(=O)OC(C)(C)C)C(=O)C3=NC4=CC=CC=C4O3)OCC5=CC=C(C=C5)Cl

DOS

IR

Vibrations