Geometry & MOs

Info

ID:

83671

PubChem CID:

49859873

Reduced:

N3O5C13H21 (1)

Stoich.:

A3B5C13D21 (1)

Weight, g/mol:

932.295023

ΔHf, kcal/mol:

-169.18

Dipole, Da:

11.9

IP(EA), eV:

 -9.32(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

bis[(1S,4S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] oxalate;oxalic acid

Drug info:

PubChemData

Smile

CN(CC#CCN1CCCC1)C(=O)CN.C(=O)(C(=O)O)O

DOS

IR

Vibrations