Geometry & MOs

Info

ID:	338996
PubChem CID:	127260007
Reduced:	S2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	310.069737
ΔH_f, kcal/mol:	-123.11
Dipole, Da:	4.55
IP(EA), eV:	-9.02(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-1-thiophen-2-ylbutan-2-yl) benzenesulfonate

Drug info:

PubChemData

Smile

CC(CC1=CC=CS1)(COC)OS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations