Geometry & MOs

Info

ID:

215595

PubChem CID:

85084959

Reduced:

N8O10C59H90 (1)

Stoich.:

A8B10C59D90 (1)

Weight, g/mol:

1072.36997

ΔHf, kcal/mol:

-431.38

Dipole, Da:

7.61

IP(EA), eV:

 -9.16(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[2-[[4-[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-octoxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypentyl]-2-iodoacetamide

Drug info:

PubChemData

Smile

CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)OC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)N1)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)C(C)CC)C(C)C)CC(C)C)C(C)C)C

DOS

IR

Vibrations