Geometry & MOs

Info

ID:

190763

PubChem CID:

78053364

Reduced:

N2O29C40H68 (1)

Stoich.:

A2B29C40D68 (1)

Weight, g/mol:

1113.407153

ΔHf, kcal/mol:

-1337.68

Dipole, Da:

2.87

IP(EA), eV:

 -10.16(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)C)O)O)O)NC(=O)C)OC5C(C(OC(C5O)OC6C(C(OC(C6O)CO)O)NC(=O)C)CO)O)CO)O)O)O

DOS

IR

Vibrations