Geometry & MOs

Info

ID:	413987
PubChem CID:	135086940
Reduced:	SO3H16C17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	252.11503
ΔH_f, kcal/mol:	-54.71
Dipole, Da:	7.43
IP(EA), eV:	-9.38(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-1-[2-(2-methoxyphenyl)ethynyl]-2-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(/C=C/C2=CC=CC=C2)C=O

DOS

IR

Vibrations