Geometry & MOs

Info

ID:	227352
PubChem CID:	87561440
Reduced:	O3N4F9H19C29 (1)
Stoich.:	A3B4C9D19E29 (1)
Weight, g/mol:	363.993687
ΔH_f, kcal/mol:	-454.71
Dipole, Da:	3.9
IP(EA), eV:	-9.38(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-chlorotetracene-1-sulfonate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C2=CC(=C(C=C2)C#N)NC(=O)C3=C(C=C(C=C3)C#N)C)OC)C(C(C(F)(F)F)(F)F)(C(F)(F)F)F

DOS

IR

Vibrations