Geometry & MOs

Info

ID:	54877
PubChem CID:	17389467
Reduced:	ON2S2H16C21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	552.209502
ΔH_f, kcal/mol:	84.75
Dipole, Da:	4.84
IP(EA), eV:	-8.68(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-bis(2-ethoxyphenyl)-6-[2-(2-ethoxyphenyl)ethynyl]pyrylium;tetrafluoroborate

Drug info:

PubChemData

Smile

C=CCN1C(=O)/C(=C\C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)/SC1=S

DOS

IR

Vibrations