Geometry & MOs

Info

ID:

190765

PubChem CID:

78053496

Reduced:

N3O31C42H71 (1)

Stoich.:

A3B31C42D71 (1)

Weight, g/mol:

1113.407153

ΔHf, kcal/mol:

-1409.05

Dipole, Da:

2.46

IP(EA), eV:

 -10.13(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[5-acetamido-4-[4-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[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

CC(=O)NC1C(C(C(OC1OC2C(C(OC(C2O)OC3C(OC(C(C3O)NC(=O)C)OC4C(C(OC(C4O)OC5C(C(OC(C5O)CO)O)NC(=O)C)CO)O)CO)CO)O)CO)OC6C(C(C(C(O6)CO)O)O)O)O

DOS

IR

Vibrations