Geometry & MOs

Info

ID:

215198

PubChem CID:

85084351

Reduced:

O5N7C43H57 (1)

Stoich.:

A5B7C43D57 (1)

Weight, g/mol:

752.179994

ΔHf, kcal/mol:

-193.7

Dipole, Da:

2.29

IP(EA), eV:

 -8.85(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,5-diacetyloxy-6-[[6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,3,4,5-tetrahydroxyoxan-2-yl]methoxy]-2-methyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)CC(C(=O)N2CCC(CC2)C3CCN(CC3)CC(=O)OCC)NC(=O)N4CCC(CC4)N5C6=C(C7=CC=CC=C7N=C6)NC5=O)CC

DOS

IR

Vibrations