Geometry & MOs

Info

ID:	30631
PubChem CID:	841594
Reduced:	ON2S2H12C18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	348.148535
ΔH_f, kcal/mol:	63.81
Dipole, Da:	3.61
IP(EA), eV:	-8.71(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations