Geometry & MOs

Info

ID:

43170

PubChem CID:

10319007

Reduced:

NS2O5C18H29 (1)

Stoich.:

AB2C5D18E29 (1)

Weight, g/mol:

403.148715

ΔHf, kcal/mol:

-237.16

Dipole, Da:

5.99

IP(EA), eV:

 -8.74(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[(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]sulfanylacetate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)N1[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)CS1(=O)=O)SCCC(=O)OC

DOS

IR

Vibrations