Geometry & MOs

Info

ID:	30635
PubChem CID:	841599
Reduced:	SN2O2C11H14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	348.148535
ΔH_f, kcal/mol:	-62.24
Dipole, Da:	1.23
IP(EA), eV:	-9.35(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)C2CCC2)C(=O)C

DOS

IR

Vibrations