Geometry & MOs

Info

ID:

190762

PubChem CID:

78053363

Reduced:

N2O29C40H68 (1)

Stoich.:

A2B29C40D68 (1)

Weight, g/mol:

1040.390774

ΔHf, kcal/mol:

-1326.8

Dipole, Da:

6.57

IP(EA), eV:

 -9.95(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[4-[3-acetamido-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3OC4C(C(C(C(O4)C)O)O)O)OC5C(C(OC(C5O)CO)O)NC(=O)C)COC6C(C(C(C(O6)CO)O)O)NC(=O)C)O)CO)O)O)O)O)O

DOS

IR

Vibrations