Geometry & MOs

Info

ID:	314956
PubChem CID:	126624010
Reduced:	ON4H12C14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	528.228517
ΔH_f, kcal/mol:	52.66
Dipole, Da:	4.65
IP(EA), eV:	-9.2(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)NN=C3C(=O)C

DOS

IR

Vibrations