Geometry & MOs

Info

ID:	320919
PubChem CID:	126664242
Reduced:	NO5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	417.160994
ΔH_f, kcal/mol:	-149.9
Dipole, Da:	4.84
IP(EA), eV:	-8.97(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C[C@@H](OC2=O)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations