Geometry & MOs

Info

ID:	189095
PubChem CID:	77817935
Reduced:	ClN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	292.068177
ΔH_f, kcal/mol:	-58.27
Dipole, Da:	6.27
IP(EA), eV:	-9.13(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-[2-(3-fluorophenyl)sulfanylacetyl]-6-methyl-3H-pyridin-2-one

Drug info:

PubChemData

Smile

COCC1CCCN1C(=O)C2=CC3=C(C=C2)OC(=N3)NCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations