Geometry & MOs

Info

ID:

214802

PubChem CID:

85083668

Reduced:

P3N6O13C17H23 (1)

Stoich.:

A3B6C13D17E23 (1)

Weight, g/mol:

612.278191

ΔHf, kcal/mol:

-662.26

Dipole, Da:

6.21

IP(EA), eV:

 -8.6(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,12,14-triacetyloxy-3,4,16-trihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadec-8-en-10-yl) butanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC2=C3C(=NC(=N2)N)N(C=N3)C4C(C(C(O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

DOS

IR

Vibrations