Geometry & MOs

Info

ID:

449928

PubChem CID:

135302621

Reduced:

S2N3O4C16H31 (1)

Stoich.:

A2B3C4D16E31 (1)

Weight, g/mol:

1113.771364

ΔHf, kcal/mol:

-206.64

Dipole, Da:

1.45

IP(EA), eV:

 -8.3(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[2-[2,2-bis[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxolan-4-yl]ethyl-methylamino]butyl]-4-[4-[(E)-C-methyl-N-[3-(pyridin-2-yldisulfanyl)propanoylamino]carbonimidoyl]phenoxy]butanamide

Drug info:

PubChemData

Smile

CC(C)(CCOC(C)(C(=O)NN)N)OC(=O)CCCCC1CCSS1

DOS

IR

Vibrations