Geometry & MOs

Info

ID:

383555

PubChem CID:

134975342

Reduced:

O9C38H42 (1)

Stoich.:

A9B38C42 (1)

Weight, g/mol:

736.303618

ΔHf, kcal/mol:

-281.43

Dipole, Da:

4.42

IP(EA), eV:

 -8.84(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[(1S,2R,3S)-3-benzoyloxy-2-(2-trityloxyethyl)cyclobutyl]-5-[(4-methoxyphenyl)methoxymethyl]furan-3-carboxylate

Drug info:

PubChemData

Smile

CC(=C)C[C@@H](/C=C/C(C[C@@H]1[C@H](C[C@@H]1OC(=O)C2=CC=CC=C2)C3=C(C=C(O3)C=C)C(=O)OC)OC(=O)C)OCC4=CC=C(C=C4)OC

DOS

IR

Vibrations