Geometry & MOs

Info

ID:	227174
PubChem CID:	87560438
Reduced:	ClFSO2N4C21H22 (1)
Stoich.:	ABCD2E4F21G22 (1)
Weight, g/mol:	315.996093
ΔH_f, kcal/mol:	-51.47
Dipole, Da:	3.78
IP(EA), eV:	-8.88(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloropyrene-1-sulfonic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=NN(C(=C1)SC2=CN=C(C=C2)Cl)C3=CC=CC=C3F)OC(=O)NC

DOS

IR

Vibrations