Geometry & MOs

Info

ID:

434104

PubChem CID:

135174262

Reduced:

NOF2C12H15 (2)

Stoich.:

ABC2D12E15 (2)

Weight, g/mol:

682.549603

ΔHf, kcal/mol:

-264.06

Dipole, Da:

7.63

IP(EA), eV:

 -9.02(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-methyl-4-[(3-oxo-3-propan-2-yloxypropyl)amino]pentan-2-yl] (2S)-2-[17-(1-hydroxy-3-propan-2-yloxypropan-2-yl)oxyheptadecan-2-ylamino]but-3-ynoate

Drug info:

PubChemData

Smile

CC(C)COC1=CC(=CC(=C1)OCC2=C(C=C(C=C2)C(F)(F)F)F)CNCC3CCNC3

DOS

IR

Vibrations