Geometry & MOs

Info

ID:	227199
PubChem CID:	87560551
Reduced:	FS2N8O9C43H49 (1)
Stoich.:	AB2C8D9E43F49 (1)
Weight, g/mol:	414.144222
ΔH_f, kcal/mol:	-244.81
Dipole, Da:	7.87
IP(EA), eV:	-8.92(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(anthracen-1-ylmethylsulfanylmethyl)anthracene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CC1=NN(C(=C1)S(=O)(=O)C2=CC=CC=C2)C3=C(N=CC=C3)OC.CC(C)(C)OC(=O)N(C)CC1=NN(C(=C1)S(=O)(=O)C2=CC=CC=C2)C3=C(N=CC=C3)F

DOS

IR

Vibrations