Geometry & MOs

Info

ID:	227201
PubChem CID:	87560558
Reduced:	N2O4F5H13C17 (1)
Stoich.:	A2B4C5D13E17 (1)
Weight, g/mol:	224.065972
ΔH_f, kcal/mol:	-317.95
Dipole, Da:	4.46
IP(EA), eV:	-10.02(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfanylanthracene

Drug info:

PubChemData

Smile

CN(C(=O)C1=CC=C(C=C1)CN(C(=O)O)C(C2=C(C(=C(C=C2)F)F)F)(F)F)O

DOS

IR

Vibrations