Geometry & MOs

Info

ID:

16414

PubChem CID:

467657

Reduced:

S2N3O8C32H47 (1)

Stoich.:

A2B3C8D32E47 (1)

Weight, g/mol:

665.280458

ΔHf, kcal/mol:

-310.09

Dipole, Da:

9.26

IP(EA), eV:

 -9.05(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2R)-1-[[(1S)-1-[(2R,3S)-3-[2-[tert-butyl(ethyl)sulfamoyl]ethyl]oxiran-2-yl]-2-phenylethyl]amino]-3-methyl-3-methylsulfonyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCN(C(C)(C)C)S(=O)(=O)CC[C@H]1[C@H](O1)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)(C)S(=O)(=O)C)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations