Geometry & MOs

Info

ID:

127628

PubChem CID:

51009190

Reduced:

ClN2O8C30H37 (1)

Stoich.:

AB2C8D30E37 (1)

Weight, g/mol:

588.223844

ΔHf, kcal/mol:

-334.83

Dipole, Da:

2.92

IP(EA), eV:

 -8.81(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-O-ethyl 3-O-methyl (4R)-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

CCOC(=O)C1=C(NC(=C([C@@H]1C2=CC=CC=C2Cl)C(=O)OC)C)COCCNC(=O)[C@@]34CC[C@](C3(C)C)(C(=O)O4)C

DOS

IR

Vibrations