Geometry & MOs

Info

ID:	32934
PubChem CID:	7849514
Reduced:	NSO6C19H21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	417.160994
ΔH_f, kcal/mol:	-215.13
Dipole, Da:	5.93
IP(EA), eV:	-8.85(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-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)C(=O)NC2=CC=CC=C2OC

DOS

IR

Vibrations