Geometry & MOs

Info

ID:

127627

PubChem CID:

51009124

Reduced:

O2C11H16 (1)

Stoich.:

A2B11C16 (1)

Weight, g/mol:

588.223844

ΔHf, kcal/mol:

-101.52

Dipole, Da:

5.45

IP(EA), eV:

 -9.87(0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-O-ethyl 3-O-methyl (4S)-4-(2-chlorophenyl)-2-methyl-6-[2-[[(1R,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl]amino]ethoxymethyl]-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC([C@H]2C[C@H]1OC(=O)C2)(C)C

DOS

IR

Vibrations