Geometry & MOs

Info

ID:	314607
PubChem CID:	126622439
Reduced:	OF3N8H13C18 (1)
Stoich.:	AB3C8D13E18 (1)
Weight, g/mol:	609.0693
ΔH_f, kcal/mol:	-42.49
Dipole, Da:	6.17
IP(EA), eV:	-9.28(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=CC(=C1F)NC2=NC(=NC3=C2NC=N3)C4=NC(=CC=C4)C(F)F

DOS

IR

Vibrations