Geometry & MOs

Info

ID:

52455

PubChem CID:

12015320

Reduced:

NSO3C17H23 (1)

Stoich.:

ABC3D17E23 (1)

Weight, g/mol:

319.124215

ΔHf, kcal/mol:

-102.92

Dipole, Da:

4.28

IP(EA), eV:

 -9.62(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S,6R,7S)-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-[(1R,2R,3S,4S)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanone

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2C[C@@H]([C@@H]1C(=O)N3C[C@H]4[C@H]5CC[C@H](C5)[C@H]4S3(=O)=O)C=C2

DOS

IR

Vibrations