Geometry & MOs

Info

ID:	133086
PubChem CID:	51474862
Reduced:	NSO6H23C24 (1)
Stoich.:	ABC6D23E24 (1)
Weight, g/mol:	453.124609
ΔH_f, kcal/mol:	-183.67
Dipole, Da:	6.69
IP(EA), eV:	-8.92(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations