Geometry & MOs

Info

ID:	314944
PubChem CID:	126623997
Reduced:	ClF2N4H11C12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	527.233268
ΔH_f, kcal/mol:	-34.06
Dipole, Da:	3.78
IP(EA), eV:	-9.44(-0.7)
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-(2-phenylethyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](CN[C@@H]1C2=NC(=NN2)C3=C(C(=CC=C3)Cl)F)F

DOS

IR

Vibrations