Geometry & MOs

Info

ID:

190760

PubChem CID:

78053361

Reduced:

N2O29C40H68 (1)

Stoich.:

A2B29C40D68 (1)

Weight, g/mol:

1040.390774

ΔHf, kcal/mol:

-1323.95

Dipole, Da:

4.19

IP(EA), eV:

 -10.18(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)C)O)O)O)NC(=O)C)OCC5C(C(C(C(O5)O)NC(=O)C)OC6C(C(C(C(O6)CO)O)O)O)O)CO)O)O)O

DOS

IR

Vibrations