Geometry & MOs

Info

ID:

190764

PubChem CID:

78053495

Reduced:

N3O31C42H71 (1)

Stoich.:

A3B31C42D71 (1)

Weight, g/mol:

1113.407153

ΔHf, kcal/mol:

-1414.13

Dipole, Da:

8.67

IP(EA), eV:

 -10.02(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1OCC2C(C(C(C(O2)O)NC(=O)C)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)NC(=O)C)O)O)CO)OC6C(C(C(C(O6)CO)O)O)O)O

DOS

IR

Vibrations