Geometry & MOs

Info

ID:

298788

PubChem CID:

117656813

Reduced:

NOSF3C12H16 (1)

Stoich.:

ABCD3E12F16 (1)

Weight, g/mol:

935.567832

ΔHf, kcal/mol:

-198.21

Dipole, Da:

4.4

IP(EA), eV:

-8.42(-0.19)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

16-[[(1S)-1-carboxy-4-oxo-4-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(2-propoxyethylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]-16-oxohexadecanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1C)S(=O)CC(F)(F)F)C)N)C

DOS

IR

Vibrations