Geometry & MOs

Info

ID:	132555
PubChem CID:	51378352
Reduced:	FON5C24H25 (1)
Stoich.:	ABC5D24E25 (1)
Weight, g/mol:	391.145796
ΔH_f, kcal/mol:	51.6
Dipole, Da:	9.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.871703
Charge, e:	-1

Chem-info

IUPAC name:

(2R)-3-acetyl-2-(2-fluorophenyl)-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5-oxo-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

CC[NH+](CC)C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CC=CC=C4F)C

DOS

IR

Vibrations