Geometry & MOs

Info

ID:

296843

PubChem CID:

117596196

Reduced:

O8H26C29 (1)

Stoich.:

A8B26C29 (1)

Weight, g/mol:

939.396054

ΔHf, kcal/mol:

-267.38

Dipole, Da:

8.14

IP(EA), eV:

 -9.04(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

but-2-enedioic acid;2-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;[6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-14,18-dioxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-dien-9-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)O.CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations