Geometry & MOs

Info

ID:

135057

PubChem CID:

51806118

Reduced:

SN2O6C28H40 (1)

Stoich.:

AB2C6D28E40 (1)

Weight, g/mol:

532.260708

ΔHf, kcal/mol:

-250.43

Dipole, Da:

7.96

IP(EA), eV:

 -8.84(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-ethyl-N-[(1S)-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