Geometry & MOs

Info

ID:	120802
PubChem CID:	50745061
Reduced:	BrON5H18C19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	482.198777
ΔH_f, kcal/mol:	71.93
Dipole, Da:	7.25
IP(EA), eV:	-8.93(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2C3=NC(=O)CC(C3=C(N2)C)C4=CC(=CC=C4)Br)C

DOS

IR

Vibrations