Geometry & MOs

Info

ID:	186714
PubChem CID:	77472074
Reduced:	ClSO2N5C23H24 (1)
Stoich.:	ABC2D5E23F24 (1)
Weight, g/mol:	273.108897
ΔH_f, kcal/mol:	-8.92
Dipole, Da:	3.37
IP(EA), eV:	-9.06(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propan-2-yl-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)SC(=N2)C(=O)N=C3CCCCC3NC(=O)C4=CC5=C(N4)C=CC(=C5)Cl

DOS

IR

Vibrations