Geometry & MOs

Info

ID:	313875
PubChem CID:	126618337
Reduced:	BrON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	479.222035
ΔH_f, kcal/mol:	-0.39
Dipole, Da:	3.24
IP(EA), eV:	-9.15(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-[2-(3-acetyl-5-hydroxyindol-1-yl)acetyl]-4-fluoro-N-(4-phenylbutyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(C=C1)Br)NC(=O)[C@@H]2C[C@H]3C[C@H]3N2

DOS

IR

Vibrations