Geometry & MOs

Info

ID:	314926
PubChem CID:	126623976
Reduced:	BrNOC18H20 (1)
Stoich.:	ABCD18E20 (1)
Weight, g/mol:	427.165582
ΔH_f, kcal/mol:	23.67
Dipole, Da:	2.19
IP(EA), eV:	-9.09(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-fluoro-1-[2-[3-(1-hydroxyethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C(CO1)(CBr)N(CC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations