Geometry & MOs

Info

ID:

215068

PubChem CID:

85084086

Reduced:

PN5O7C36H40 (1)

Stoich.:

AB5C7D36E40 (1)

Weight, g/mol:

686.130541

ΔHf, kcal/mol:

-204.09

Dipole, Da:

4.84

IP(EA), eV:

 -8.63(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(2-hydroxyethylsulfanyl)-2-(3,4,5-trihydroxyphenyl)-8-[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

Drug info:

PubChemData

Smile

CCOP(=O)(O)OCCCOC1CC(C=C1)N2C=NC3=C2N=C(N=C3OC)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)OC

DOS

IR

Vibrations