Geometry & MOs

Info

ID:

222080

PubChem CID:

85293838

Reduced:

O2N3H14C15 (2)

Stoich.:

A2B3C14D15 (2)

Weight, g/mol:

536.171618

ΔHf, kcal/mol:

-27.31

Dipole, Da:

7.62

IP(EA), eV:

 -8.79(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[6-benzylsulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)NC(=O)C5=CC=C(C=C5)C6=CC=CC=C6

DOS

IR

Vibrations