Geometry & MOs

Info

ID:	132534
PubChem CID:	51375449
Reduced:	N2O3C25H25 (1)
Stoich.:	A2B3C25D25 (1)
Weight, g/mol:	401.186518
ΔH_f, kcal/mol:	-35.74
Dipole, Da:	6.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770865
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations