Geometry & MOs

Info

ID:

190758

PubChem CID:

78053181

Reduced:

N7O76C104H173 (1)

Stoich.:

A7B76C104D173 (1)

Weight, g/mol:

1040.390774

ΔHf, kcal/mol:

-3448.23

Dipole, Da:

9.4

IP(EA), eV:

 -9.97(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)O)O)O)NC(=O)C)O)O)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)OC1C(C(C(C(O1)CO)O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)OC1C(C(C(C(O1)COC1C(C(C(C(O1)CO)OC1C(C(C(C(O1)CO)O)O)O)O)NC(=O)C)OC1C(C(C(C(O1)CO)OC1C(C(C(C(O1)CO)O)O)O)O)NC(=O)C)O)O)O)O)NC(=O)C)O

DOS

IR

Vibrations