Geometry & MOs

Info

ID:

411199

PubChem CID:

135084012

Reduced:

NPO4C29H30 (2)

Stoich.:

ABC4D29E30 (2)

Weight, g/mol:

622.269752

ΔHf, kcal/mol:

-133.57

Dipole, Da:

2.07

IP(EA), eV:

 -8.6(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-5-acetamido-6-[[2-(dimethylamino)-4-hydroxy-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-yl]oxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

COCCOCOCC#CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C#CCOCOCCOC)C3=CC=CC=C3C(=O)N[C@@H]4CCCC[C@H]4NC(=O)C5=CC=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations