Geometry & MOs

Info

ID:	355165
PubChem CID:	127288097
Reduced:	FSN3O3C15H16 (1)
Stoich.:	ABC3D3E15F16 (1)
Weight, g/mol:	220.096026
ΔH_f, kcal/mol:	-142.01
Dipole, Da:	7.72
IP(EA), eV:	-9.16(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2-methylpyrimidin-5-yl)-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]1C(=O)N2CSCC2C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations