Geometry & MOs

Info

ID:

441018

PubChem CID:

135232720

Reduced:

SN5O32C46H79 (1)

Stoich.:

AB5C32D46E79 (1)

Weight, g/mol:

1193.480986

ΔHf, kcal/mol:

-1441.94

Dipole, Da:

16.98

IP(EA), eV:

 -8.84(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[3-acetamido-5-[3-acetamido-5-[3-acetamido-5-[3-[acetyl(methyl)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-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

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)O)NC(=O)C)O)OC3C(C(C(C(O3)COS(=O)(=O)OC)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)O)NC)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C)O)O)O

DOS

IR

Vibrations