Geometry & MOs

Info

ID:

221602

PubChem CID:

85285458

Reduced:

SiN5O6C25H33 (1)

Stoich.:

AB5C6D25E33 (1)

Weight, g/mol:

528.147906

ΔHf, kcal/mol:

-221.87

Dipole, Da:

6.41

IP(EA), eV:

 -9.2(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-trihydroxy-6-[[6-hydroxy-2-(hydroxymethyl)-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1CC(OC1(CO)C(=O)OC)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations