Geometry & MOs

Info

ID:	401690
PubChem CID:	135052142
Reduced:	SO3H18C21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	266.097666
ΔH_f, kcal/mol:	-34.09
Dipole, Da:	3.94
IP(EA), eV:	-8.57(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-dimethyl-1-phenylpent-2-ynyl) methanesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\C1=CC=CC2=CC=CC=C21)/S(=O)C3=CC=CC=C3

DOS

IR

Vibrations