Geometry & MOs

Info

ID:	314568
PubChem CID:	126622207
Reduced:	N2O3C14H14 (1)
Stoich.:	A2B3C14D14 (1)
Weight, g/mol:	639.12411
ΔH_f, kcal/mol:	-25.26
Dipole, Da:	1.33
IP(EA), eV:	-9.25(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C3C4CC(C3NC2=O)C=C4)[N+](=C1)[O-]

DOS

IR

Vibrations