Geometry & MOs

Info

ID:	30626
PubChem CID:	841587
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	348.148535
ΔH_f, kcal/mol:	-81.03
Dipole, Da:	3.94
IP(EA), eV:	-9.0(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-acetyl-2-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3CCC3

DOS

IR

Vibrations