Geometry & MOs

Info

ID:	32927
PubChem CID:	7849502
Reduced:	NO2H9C10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	374.118795
ΔH_f, kcal/mol:	-103.69
Dipole, Da:	3.68
IP(EA), eV:	-8.85(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)OCC(=O)N2CC(=O)NC3=CC=CC=C32

DOS

IR

Vibrations