Geometry & MOs

Info

ID:

326012

PubChem CID:

126686032

Reduced:

N3O5C20H23 (1)

Stoich.:

A3B5C20D23 (1)

Weight, g/mol:

495.125334

ΔHf, kcal/mol:

-165.14

Dipole, Da:

10.79

IP(EA), eV:

 -8.42(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[13-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-5-carboxyoxy-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaen-10-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1C2=C(C3=C(O1)C=C(C=C3)N4CCC(C4)N(C)C)NC(=O)C(=C2)OC(=O)O

DOS

IR

Vibrations