Geometry & MOs

Info

ID:	318936
PubChem CID:	126653772
Reduced:	ClF2N2O3C19H23 (1)
Stoich.:	AB2C2D3E19F23 (1)
Weight, g/mol:	578.10773
ΔH_f, kcal/mol:	-228.58
Dipole, Da:	3.91
IP(EA), eV:	-9.78(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=C(C(=CC(=C2)C=C)Cl)F)F

DOS

IR

Vibrations