Geometry & MOs

Info

ID:

442691

PubChem CID:

135255788

Reduced:

N3H20C34 (2)

Stoich.:

A3B20C34 (2)

Weight, g/mol:

614.839157

ΔHf, kcal/mol:

454.37

Dipole, Da:

2.63

IP(EA), eV:

 -8.03(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[dichloro(methyl)-lambda4-sulfanyl]-N-[4-[dichloro(methyl)-lambda4-sulfanyl]phenyl]-N-[4-(trichloro-lambda4-sulfanyl)phenyl]aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2N(C5=C4C=CC=C5C6=C7C=CC=CC7=C(C8=CC=CC=C86)C9=CC=CC1=C9N(C2=C1C1=CC=CC=C1N2C1=CC=CC=C1)C1=CC=CC(=C1)C#N)C1=CC=CC(=C1)C#N

DOS

IR

Vibrations