Geometry & MOs

Info

ID:	314915
PubChem CID:	126623962
Reduced:	BrON3C9H12 (1)
Stoich.:	ABC3D9E12 (1)
Weight, g/mol:	598.0798
ΔH_f, kcal/mol:	-28.69
Dipole, Da:	0.41
IP(EA), eV:	-9.52(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]-1-[(2S,4R)-2-[(6-bromopyridin-2-yl)sulfinylmethyl]-4-fluoropyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=NC(=CC=C1)Br)N

DOS

IR

Vibrations