Geometry & MOs

Info

ID:	232052
PubChem CID:	87575305
Reduced:	SO3F4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	369.152441
ΔH_f, kcal/mol:	-313.75
Dipole, Da:	2.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.928828
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]anthracen-1-yl]sulfanium

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)COC1=CC=C(C2=CC3=CC=CC=C3C=C12)[S+](C)C.C(F)(F)(F)F

DOS

IR

Vibrations