Geometry & MOs

Info

ID:

377178

PubChem CID:

134223216

Reduced:

FN3O4C16H19 (2)

Stoich.:

AB3C4D16E19 (2)

Weight, g/mol:

709.586523

ΔHf, kcal/mol:

-367.89

Dipole, Da:

3.12

IP(EA), eV:

 -8.52(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dimethyl-2-[[3-[(9Z,12Z)-octadeca-9,12-dienoxy]-2-[(Z)-octadec-9-enoxy]propyl]disulfanyl]ethanamine

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1COC([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC2=CC(=C(C=C2C#N)NC3=NC=C(C(=N3)N[C@@H]4C[C@@H]5CCCN5C(C4)(C)C)F)F

DOS

IR

Vibrations