Geometry & MOs

Info

ID:	141928
PubChem CID:	52953782
Reduced:	SN3F6H7C10 (1)
Stoich.:	AB3C6D7E10 (1)
Weight, g/mol:	487.198145
ΔH_f, kcal/mol:	-258.04
Dipole, Da:	3.15
IP(EA), eV:	-9.17(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 7-(3-methoxypropyl)-2-oxo-6-[(E)-3-phenylprop-2-enoyl]imino-7,9-diaza-1-azoniatricyclo[8.4.0.03,8]tetradeca-1(14),3,8,10,12-pentaene-5-carboxylate

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2NC(=S)NN2

DOS

IR

Vibrations