Geometry & MOs

Info

ID:

441016

PubChem CID:

135232717

Reduced:

N5O31C62H97 (1)

Stoich.:

A5B31C62D97 (1)

Weight, g/mol:

1261.558843

ΔHf, kcal/mol:

-1421.74

Dipole, Da:

13.92

IP(EA), eV:

 -8.82(-0.05)

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-(hydroxymethyl)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

CCCCCCC#CCCCOC1=CC=CC(=C1)C(=O)NC2[C@H](C(C(OC2OC3C(OC(C(C3O)NC(=O)C)OC4[C@@H](C(C(OC4CO)OC5C(OC(C(C5O)NC(=O)C)OC6[C@@H](C(C(OC6CO[C@H]7[C@@H](C(C(C(O7)C)O)O)O)O)NC(=O)C)O)CO)NC(=O)C)O)CO)CO)O)O

DOS

IR

Vibrations