Geometry & MOs

Info

ID:	314748
PubChem CID:	126622980
Reduced:	O4N5C19H19 (1)
Stoich.:	A4B5C19D19 (1)
Weight, g/mol:	595.09789
ΔH_f, kcal/mol:	-67.89
Dipole, Da:	3.58
IP(EA), eV:	-9.55(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=C(C=C3C(=C2)C(=NN3CC(=O)O)C(=O)C)C(=O)N(C)C

DOS

IR

Vibrations