Geometry & MOs

Info

ID:

305111

PubChem CID:

124766536

Reduced:

ClSN4O5H27C29 (1)

Stoich.:

ABC4D5E27F29 (1)

Weight, g/mol:

331.126717

ΔHf, kcal/mol:

-5.35

Dipole, Da:

3.33

IP(EA), eV:

 -8.61(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(1R,2R,6S,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC=CC3=C2N[C@@H]([C@H]4[C@@H]3[C@@H]([C@H](C4)SC5=CC=CC=C5[N+](=O)[O-])Cl)C6=CC=C(C=C6)[N+](=O)[O-]

DOS

IR

Vibrations