Geometry & MOs

Info

ID:	227083
PubChem CID:	87560126
Reduced:	NF3O5C29H30 (1)
Stoich.:	AB3C5D29E30 (1)
Weight, g/mol:	363.993687
ΔH_f, kcal/mol:	-324.56
Dipole, Da:	1.52
IP(EA), eV:	-9.12(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-chlorochrysene-1-sulfonate

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)OCC2=C(C(=CC(=C2C3=CC=CC=C3)OC)C(F)(F)F)CC(=O)OCC

DOS

IR

Vibrations