Geometry & MOs

Info

ID:

297362

PubChem CID:

117616194

Reduced:

SO3N5C22H23 (1)

Stoich.:

AB3C5D22E23 (1)

Weight, g/mol:

500.203981

ΔHf, kcal/mol:

30.68

Dipole, Da:

6.76

IP(EA), eV:

 -9.08(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R,3S,5S)-5-[(1S,2S)-2-acetamido-1-[(3S)-1,3-dihydroxybutan-2-yl]oxy-3-hydroxypropoxy]-4-hydroxy-6-(hydroxymethyl)-2-(2-sulfanylethoxy)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=NC4=O)N(N3)[C@@H](CC#N)C5CC5

DOS

IR

Vibrations