Geometry & MOs

Info

ID:	52521
PubChem CID:	12015415
Reduced:	NSO4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	473.205606
ΔH_f, kcal/mol:	-127.84
Dipole, Da:	6.36
IP(EA), eV:	-9.69(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfonyl)-1-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

C[C@H]([C@H](C1=CC=CC=C1)O)N(C)C(=O)CS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations