Geometry & MOs

Info

ID:	27595
PubChem CID:	822443
Reduced:	ClFSN2O2H14C15 (1)
Stoich.:	ABCD2E2F14G15 (1)
Weight, g/mol:	231.08079
ΔH_f, kcal/mol:	-86.1
Dipole, Da:	3.53
IP(EA), eV:	-8.93(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-N-pyrimidin-2-ylacetamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(N1S(=O)(=O)C3=CN=C(C=C3)Cl)C=CC(=C2)F

DOS

IR

Vibrations