Geometry & MOs

Info

ID:

173680

PubChem CID:

75668075

Reduced:

FO3N5C23H24 (1)

Stoich.:

AB3C5D23E24 (1)

Weight, g/mol:

374.165071

ΔHf, kcal/mol:

-43.17

Dipole, Da:

14.38

IP(EA), eV:

 -8.37(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

8,14,14-trimethyl-4-piperidin-3-yl-13-oxa-10-thia-3,5,6-triaza-8-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,8,11(16)-tetraen-7-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(=C2C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC=CC=C4F)[O-]

DOS

IR

Vibrations