Geometry & MOs

Info

ID:

445528

PubChem CID:

135267627

Reduced:

FN3O6C33H36 (1)

Stoich.:

AB3C6D33E36 (1)

Weight, g/mol:

473.170845

ΔHf, kcal/mol:

-231.85

Dipole, Da:

12.84

IP(EA), eV:

 -8.42(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[methyl(methylamino)amino]ethyl]-5-(3-methylsulfonylphenyl)-N-[(Z)-1-(trifluoromethoxy)ethyldiazenyl]aniline

Drug info:

PubChemData

Smile

CC1(C(C2=CC(=C3C(=C2O1)C(=CN3)C(=O)C(=O)OC)C4=CC(CC=C4)C(=O)NC(C)(C)C)C(=O)NC)[C@@H]5CC=C(C=C5)F

DOS

IR

Vibrations