Geometry & MOs

Info

ID:

377291

PubChem CID:

134223339

Reduced:

OSN2H28C48 (1)

Stoich.:

ABC2D28E48 (1)

Weight, g/mol:

446.300071

ΔHf, kcal/mol:

193.23

Dipole, Da:

1.83

IP(EA), eV:

 -7.95(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[3-(3-methylpentan-3-ylsulfanyl)propanoylamino]hexyl]-3-pentan-3-ylsulfanylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=CC7=C6OC8=CC=CC=C78)C9=CC=CC=C9)C1=C2C=CC2=C1SC1=CC=CC=C21

DOS

IR

Vibrations