Geometry & MOs

Info

ID:

326462

PubChem CID:

126687606

Reduced:

NO3C13H21 (3)

Stoich.:

AB3C13D21 (3)

Weight, g/mol:

407.226765

ΔHf, kcal/mol:

-418.05

Dipole, Da:

4.6

IP(EA), eV:

 -9.28(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-6-amino-1-oxo-1-[[(2R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]hexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCCC[C@@H](C(=O)NC1[C@@H](OC([C@H](C1O)O)CO)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations