Geometry & MOs

Info

ID:	32918
PubChem CID:	7849444
Reduced:	SO6C20H22 (1)
Stoich.:	AB6C20D22 (1)
Weight, g/mol:	375.114044
ΔH_f, kcal/mol:	-217.16
Dipole, Da:	9.14
IP(EA), eV:	-9.44(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C

DOS

IR

Vibrations