Geometry & MOs

Info

ID:	132556
PubChem CID:	51378353
Reduced:	FN2O3H20C23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	391.145796
ΔH_f, kcal/mol:	-49.0
Dipole, Da:	20.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.994022
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)CCN3[C@H](C(=C(C3=O)[O-])C(=O)C)C4=CC=CC=C4F

DOS

IR

Vibrations