Geometry & MOs

Info

ID:

145295

PubChem CID:

53493840

Reduced:

NOC17H27 (2)

Stoich.:

ABC17D27 (2)

Weight, g/mol:

548.131875

ΔHf, kcal/mol:

-144.59

Dipole, Da:

6.75

IP(EA), eV:

 -8.92(0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)ethyl 4-[5-(5-chloropyridin-2-yl)sulfanyl-4-(4-methylsulfinylphenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)N6CCNCC6)C)C)(C)C

DOS

IR

Vibrations