Geometry & MOs

Info

ID:

393283

PubChem CID:

135019931

Reduced:

OF2N2C17H18 (1)

Stoich.:

AB2C2D17E18 (1)

Weight, g/mol:

621.435301

ΔHf, kcal/mol:

-111.99

Dipole, Da:

1.53

IP(EA), eV:

 -8.61(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[2-[(2S,5S)-6-[[(2S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[methyl(pyridin-4-yl)amino]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)NC(=O)N(C)C)C2=CC(=CC(=C2)F)F

DOS

IR

Vibrations