Geometry & MOs

Info

ID:

443054

PubChem CID:

135257539

Reduced:

SN2O3F5C33H35 (1)

Stoich.:

AB2C3D5E33F35 (1)

Weight, g/mol:

770.281284

ΔHf, kcal/mol:

-289.09

Dipole, Da:

5.72

IP(EA), eV:

 -8.68(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[1,3-bis(phenylmethoxy)but-3-enyl]-N-[(4-cyclohexylphenyl)methyl]-2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

CC(C)(C1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C3CCCCC3)C(=O)C4(CC4)N(C)SC5=C(C(=C(C(=C5F)F)F)F)F)O)O

DOS

IR

Vibrations