Geometry & MOs

Info

ID:	314877
PubChem CID:	126623860
Reduced:	O2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	555.264568
ΔH_f, kcal/mol:	0.27
Dipole, Da:	4.42
IP(EA), eV:	-9.68(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H](CC(C1N=[N+]=[N-])O)OCC2=CC=CC=C2

DOS

IR

Vibrations