Geometry & MOs

Info

ID:	338882
PubChem CID:	127259893
Reduced:	SF3O3H13C15 (1)
Stoich.:	AB3C3D13E15 (1)
Weight, g/mol:	474.219495
ΔH_f, kcal/mol:	-238.34
Dipole, Da:	5.69
IP(EA), eV:	-9.57(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-[(10-butylanthracen-9-yl)methoxy]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)OCC2=CC=CC=C2)C(F)(F)F

DOS

IR

Vibrations