Geometry & MOs

Info

ID:	32919
PubChem CID:	7849446
Reduced:	NSO5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	389.129694
ΔH_f, kcal/mol:	-180.86
Dipole, Da:	8.21
IP(EA), eV:	-9.26(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[benzyl(methyl)amino]-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)NCC2=CC=CC=C2

DOS

IR

Vibrations