Geometry & MOs

Info

ID:

441015

PubChem CID:

135232714

Reduced:

SN5O32C45H77 (1)

Stoich.:

AB5C32D45E77 (1)

Weight, g/mol:

1407.616751

ΔHf, kcal/mol:

-1442.1

Dipole, Da:

18.63

IP(EA), eV:

 -9.35(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4R)-2-[5-acetamido-6-[(4R)-5-acetamido-6-[5-acetamido-6-[(4R)-5-acetamido-4,6-dihydroxy-2-[[(2R,3R)-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-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-3-undec-4-ynoxybenzamide

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)N)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C)O)O)O

DOS

IR

Vibrations