Geometry & MOs

Info

ID:

134425

PubChem CID:

51694960

Reduced:

N3O4C20H27 (1)

Stoich.:

A3B4C20D27 (1)

Weight, g/mol:

427.156577

ΔHf, kcal/mol:

-82.55

Dipole, Da:

3.89

IP(EA), eV:

 -9.5(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5R,6S,7R)-3-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-methylbutyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

Drug info:

PubChemData

Smile

CCCCC[C@H](C)NC(=O)[C@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)C4=NOC(=C4)C)O2

DOS

IR

Vibrations