Geometry & MOs

Info

ID:

135058

PubChem CID:

51806119

Reduced:

SN2O6C28H40 (1)

Stoich.:

AB2C6D28E40 (1)

Weight, g/mol:

532.260708

ΔHf, kcal/mol:

-246.21

Dipole, Da:

5.31

IP(EA), eV:

 -8.56(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-ethyl-N-[(1R)-1-(4-hydroxy-3-methoxyphenyl)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]-N-propylhexanamide

Drug info:

PubChemData

Smile

CCCC[C@H](CC)C(=O)N(CCC)[C@@H](C1=CC(=C(C=C1)O)OC)C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations