Geometry & MOs

Info

ID:	64158
PubChem CID:	29197029
Reduced:	SO2N3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	323.130363
ΔH_f, kcal/mol:	-7.32
Dipole, Da:	4.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.214637
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)[NH+](C)C

DOS

IR

Vibrations