Geometry & MOs

Info

ID:

441237

PubChem CID:

135233758

Reduced:

SN2H28C38 (1)

Stoich.:

AB2C28D38 (1)

Weight, g/mol:

455.271882

ΔHf, kcal/mol:

191.05

Dipole, Da:

3.42

IP(EA), eV:

 -8.38(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[3-[5-(2,2-dimethylpropylamino)-6-(methylamino)pyridin-2-yl]piperidin-1-yl]sulfanyl-3-methylphenyl]acetamide

Drug info:

PubChemData

Smile

CC1/C=C(\C=C/CN(C2=CC=CC=C12)C3=CC=C(C=C3)C4=CC=CC=C4)/C5=CC6=C(C=C5)SC7=C6C=C(C=C7)C#N

DOS

IR

Vibrations