Geometry & MOs

Info

ID:	355069
PubChem CID:	127287930
Reduced:	BrN2O3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	313.146013
ΔH_f, kcal/mol:	-115.32
Dipole, Da:	1.81
IP(EA), eV:	-9.72(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]1C(=O)NC2(CCOCC2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations