Geometry & MOs

Info

ID:	231118
PubChem CID:	87572692
Reduced:	F2N2O8C21H28 (1)
Stoich.:	A2B2C8D21E28 (1)
Weight, g/mol:	364.113316
ΔH_f, kcal/mol:	-387.04
Dipole, Da:	5.69
IP(EA), eV:	-8.94(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;acetate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)O[C@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)CC3=CC(=C(C=C3F)OC)F

DOS

IR

Vibrations