Geometry & MOs

Info

ID:	32957
PubChem CID:	7849677
Reduced:	SO4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	348.103145
ΔH_f, kcal/mol:	-149.52
Dipole, Da:	4.65
IP(EA), eV:	-9.03(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)ethyl 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations