Geometry & MOs

Info

ID:	32928
PubChem CID:	7849503
Reduced:	SO5C20H22 (1)
Stoich.:	AB5C20D22 (1)
Weight, g/mol:	375.077658
ΔH_f, kcal/mol:	-182.81
Dipole, Da:	2.37
IP(EA), eV:	-9.46(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-benzamido-2-oxoethyl) 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C)C

DOS

IR

Vibrations