Geometry & MOs

Info

ID:	328464
PubChem CID:	126723142
Reduced:	NS2F3O6C8H14 (1)
Stoich.:	AB2C3D6E8F14 (1)
Weight, g/mol:	540.286232
ΔH_f, kcal/mol:	-397.87
Dipole, Da:	7.6
IP(EA), eV:	-10.67(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[6-(diethylamino)-9-[2-[2-(prop-2-enoylamino)ethoxycarbonyl]phenyl]xanthen-3-ylidene]-diethylazanium

Drug info:

PubChemData

Smile

CC(=C)C(O)OCCCS(=O)(=O)NS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations