Geometry & MOs

Info

ID:	317546
PubChem CID:	126643235
Reduced:	BrFON4C13H18 (1)
Stoich.:	ABCD4E13F18 (1)
Weight, g/mol:	594.11388
ΔH_f, kcal/mol:	-61.95
Dipole, Da:	8.06
IP(EA), eV:	-9.12(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-3-amino-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)CC1(CC(NC1)C(=O)NC2=NC(=CC=C2)Br)F

DOS

IR

Vibrations