Geometry & MOs

Info

ID:	30043
PubChem CID:	839118
Reduced:	ClFNO2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-97.26
Dipole, Da:	4.98
IP(EA), eV:	-8.68(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-acetyl-1-[2-(dimethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)CC2=C(C=CC=C2Cl)F

DOS

IR

Vibrations