Geometry & MOs

Info

ID:	132531
PubChem CID:	51375446
Reduced:	N2O3H23C24 (1)
Stoich.:	A2B3C23D24 (1)
Weight, g/mol:	437.05008
ΔH_f, kcal/mol:	-29.9
Dipole, Da:	6.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769155
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@@H]2C(=C(C(=O)N2CCC3=CNC4=CC=CC=C43)[O-])C(=O)C

DOS

IR

Vibrations