Geometry & MOs

Info

ID:	49697
PubChem CID:	11533586
Reduced:	F2N3O3C29H35 (1)
Stoich.:	A2B3C3D29E35 (1)
Weight, g/mol:	511.25834
ΔH_f, kcal/mol:	-155.61
Dipole, Da:	8.01
IP(EA), eV:	-9.53(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC(=C1)C2(CCC3=NOC=C3C2)NCC(C(CC4=CC(=CC(=C4)F)F)C(=O)NC)O

DOS

IR

Vibrations