Geometry & MOs

Info

ID:

45127

PubChem CID:

10508203

Reduced:

PN4O9C29H47 (1)

Stoich.:

AB4C9D29E47 (1)

Weight, g/mol:

627.248682

ΔHf, kcal/mol:

-492.86

Dipole, Da:

3.86

IP(EA), eV:

 -9.6(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC1=CC=CC=C1)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)P(=O)(O)OCC(=O)OC

DOS

IR

Vibrations