Geometry & MOs

Info

ID:

43169

PubChem CID:

10319003

Reduced:

NO5C23H33 (1)

Stoich.:

AB5C23D33 (1)

Weight, g/mol:

403.148715

ΔHf, kcal/mol:

-250.73

Dipole, Da:

3.6

IP(EA), eV:

 -9.52(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[(2R)-4-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-4-oxobutan-2-yl]sulfanylpropanoate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](CC(C)C)C(=O)N1[C@H](COC1=O)CC2=CC=CC=C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations