Geometry & MOs

Info

ID:

309281

PubChem CID:

126541897

Reduced:

NS2O5F6C35H49 (1)

Stoich.:

AB2C5D6E35F49 (1)

Weight, g/mol:

563.314141

ΔHf, kcal/mol:

-567.19

Dipole, Da:

6.2

IP(EA), eV:

 -8.54(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[1-[[(E,3S)-6-[(4-aminophenyl)sulfonylamino]-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2OCCCOC(C(F)(F)F)C(F)(F)F)CCC4=C3C=CC(=C4)OC(=O)N(CCCCCCO)C5CCSSC5

DOS

IR

Vibrations