Geometry & MOs

Info

ID:	30036
PubChem CID:	839065
Reduced:	OSN3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	306.137971
ΔH_f, kcal/mol:	-1.97
Dipole, Da:	4.92
IP(EA), eV:	-8.14(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C4CCCC4=C3)N)C

DOS

IR

Vibrations