Geometry & MOs

Info

ID:

389087

PubChem CID:

134991118

Reduced:

NO2C22H27 (1)

Stoich.:

AB2C22D27 (1)

Weight, g/mol:

546.27973

ΔHf, kcal/mol:

-25.65

Dipole, Da:

2.88

IP(EA), eV:

 -8.34(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-2-hydroxy-N-[(1R,2R)-2-[[(2S,4S)-2-hydroxy-2,7,7-trimethyl-1-bicyclo[2.2.1]heptanyl]sulfonylamino]cyclohexyl]-2,7,7-trimethylbicyclo[2.2.1]heptane-1-sulfonamide

Drug info:

PubChemData

Smile

CC1([C@@H]([C@@H]1N2CCOCC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C

DOS

IR

Vibrations