Geometry & MOs

Info

ID:

190755

PubChem CID:

78052632

Reduced:

N2O20C27H46 (1)

Stoich.:

A2B20C27D46 (1)

Weight, g/mol:

1932.707989

ΔHf, kcal/mol:

-921.48

Dipole, Da:

2.69

IP(EA), eV:

 -10.26(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[3-acetamido-5-[4-[3-[3-acetamido-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3-[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(CO4)O)O)O)O)NC(=O)C)O

DOS

IR

Vibrations