Geometry & MOs

Info

ID:

224105

PubChem CID:

85338214

Reduced:

N3O5C37H41 (1)

Stoich.:

A3B5C37D41 (1)

Weight, g/mol:

608.17412

ΔHf, kcal/mol:

-178.92

Dipole, Da:

2.38

IP(EA), eV:

 -8.49(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(CC2=C(C1C3=CC=C(C=C3)C4=CC=CC=C4)NC5=CC=CC=C25)C(=O)NC6CCC(CC6)CC(=O)O

DOS

IR

Vibrations