Geometry & MOs

Info

ID:

219352

PubChem CID:

85146941

Reduced:

ClFN4O4H12C16 (1)

Stoich.:

ABC4D4E12F16 (1)

Weight, g/mol:

393.132471

ΔHf, kcal/mol:

-106.7

Dipole, Da:

5.75

IP(EA), eV:

 -10.11(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,19-diethyl-19-hydroxy-6-oxido-17-oxa-3,13-diaza-6-azoniapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione

Drug info:

PubChemData

Smile

C1C(OC(O1)COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=C(N=C4Cl)F

DOS

IR

Vibrations