Geometry & MOs

Info

ID:	32931
PubChem CID:	7849511
Reduced:	NSO5C22H23 (1)
Stoich.:	ABC5D22E23 (1)
Weight, g/mol:	391.108959
ΔH_f, kcal/mol:	-154.05
Dipole, Da:	6.77
IP(EA), eV:	-9.51(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)OCC(=O)N([C@@H]2CCS(=O)(=O)C2)C3=CC=CC=C3

DOS

IR

Vibrations