Geometry & MOs

Info

ID:

47451

PubChem CID:

10532804

Reduced:

NPO10C36H70 (1)

Stoich.:

ABC10D36E70 (1)

Weight, g/mol:

710.43577

ΔHf, kcal/mol:

-622.47

Dipole, Da:

15.1

IP(EA), eV:

 -9.76(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S,5S)-2-[(2R,5R)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-[(2S)-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC(=O)O

DOS

IR

Vibrations