Geometry & MOs

Info

ID:

232353

PubChem CID:

87576054

Reduced:

FN3O3C24H26 (1)

Stoich.:

AB3C3D24E26 (1)

Weight, g/mol:

617.182067

ΔHf, kcal/mol:

-139.83

Dipole, Da:

8.27

IP(EA), eV:

 -8.89(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl-[4-methyl-4-(methyldisulfanyl)pentyl]amino]-5-(methylsulfonyloxymethyl)phenyl]methyl methanesulfonate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CCC1=C(NC2=C1C(=O)CCC2)/C=C/3\C4=C(C=CC(=C4)F)NC3=O

DOS

IR

Vibrations