Geometry & MOs

Info

ID:

441012

PubChem CID:

135232701

Reduced:

N5O27C43H71 (1)

Stoich.:

A5B27C43D71 (1)

Weight, g/mol:

1193.480986

ΔHf, kcal/mol:

-1253.4

Dipole, Da:

3.87

IP(EA), eV:

 -9.4(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-(methylamino)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)COC(=O)C)O)O)N(C)C(=O)C)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C)O

DOS

IR

Vibrations