Geometry & MOs

Info

ID:

128045

PubChem CID:

51028519

Reduced:

N2O5C40H40 (1)

Stoich.:

A2B5C40D40 (1)

Weight, g/mol:

358.135114

ΔHf, kcal/mol:

207.01

Dipole, Da:

7.99

IP(EA), eV:

 -6.72(-3.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate

Drug info:

PubChemData

Smile

C1CNC(=O)C2=CC3=C(C=C2)[C@H]4[C@H]5C6=C(C=C(C=C6)C(=O)NCCCOCCOCCOC1)[C@H]([C@@H]3C7=CC=CC=C47)C8=CC=CC=C58

DOS

IR

Vibrations