Geometry & MOs

Info

ID:

404731

PubChem CID:

135070109

Reduced:

N2O13C20H28 (1)

Stoich.:

A2B13C20D28 (1)

Weight, g/mol:

626.1483

ΔHf, kcal/mol:

-476.79

Dipole, Da:

9.18

IP(EA), eV:

 -9.94(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(2S,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyphenyl]-3,5,7-trihydroxychromen-4-one

Drug info:

PubChemData

Smile

CC(=O)NC1[C@@H](OC([C@H](C1O)O[C@H]2C(C([C@H](C(O2)CO)O)O)O)CO)OC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations