Geometry & MOs

Info

ID:	187888
PubChem CID:	77638816
Reduced:	ClF3N3O3C29H31 (1)
Stoich.:	AB3C3D3E29F31 (1)
Weight, g/mol:	562.294391
ΔH_f, kcal/mol:	-248.05
Dipole, Da:	6.76
IP(EA), eV:	-8.98(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(1H-indol-3-yl)acetyl]amino]-8-oxo-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]nonanamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)CN(CC(C(CC2=CC(=CC(=C2)F)F)N)O)C(=O)CCC(=O)NC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations