Geometry & MOs

Info

ID:

220028

PubChem CID:

85165161

Reduced:

SN2O5C37H50 (1)

Stoich.:

AB2C5D37E50 (1)

Weight, g/mol:

635.242534

ΔHf, kcal/mol:

-207.36

Dipole, Da:

8.79

IP(EA), eV:

 -9.5(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2CCC13CS(=O)(=O)N(C3C2)C(=O)C(CCCCCCCC(=O)OC(C)(C)C)N=C(C4=CC=CC=C4)C5=CC=CC=C5)C

DOS

IR

Vibrations