Geometry & MOs

Info

ID:	32897
PubChem CID:	7849237
Reduced:	SO4C17H18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	375.114044
ΔH_f, kcal/mol:	-137.66
Dipole, Da:	4.28
IP(EA), eV:	-9.62(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations