Geometry & MOs

Info

ID:	314604
PubChem CID:	126622423
Reduced:	OF3N7H18C24 (1)
Stoich.:	AB3C7D18E24 (1)
Weight, g/mol:	502.0652
ΔH_f, kcal/mol:	-19.79
Dipole, Da:	7.5
IP(EA), eV:	-9.09(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-[2-(3-acetyl-5-hydroxyindol-1-yl)acetyl]-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)C4=NC(=CC=C4)C(F)F)NC5=C(C=NC=C5)F

DOS

IR

Vibrations