Geometry & MOs

Info

ID:	306380
PubChem CID:	125011504
Reduced:	SO2N4H16C17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	8.73
Dipole, Da:	4.14
IP(EA), eV:	-8.78(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CO[C@@H](CN1C(=O)C2=CC3=CC=CC=C3S2)C4=NC=CN=C4N

DOS

IR

Vibrations