Geometry & MOs

Info

ID:

214915

PubChem CID:

85083843

Reduced:

N9O10C26H41 (1)

Stoich.:

A9B10C26D41 (1)

Weight, g/mol:

640.200335

ΔHf, kcal/mol:

-427.2

Dipole, Da:

4.88

IP(EA), eV:

 -9.25(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CN)C(=O)NC(CCCCN)C(=O)NC(CC2=CN=CN2)C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)O

DOS

IR

Vibrations