Geometry & MOs

Info

ID:	314934
PubChem CID:	126623987
Reduced:	BrFO3N4C11H12 (1)
Stoich.:	ABC3D4E11F12 (1)
Weight, g/mol:	557.255066
ΔH_f, kcal/mol:	-152.48
Dipole, Da:	4.92
IP(EA), eV:	-9.02(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1-[2-[(2S)-5-fluoro-2-[(6-methylpyridin-2-yl)carbamoyl]azepan-1-yl]-2-oxoethyl]indole-3-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C(=O)NC2=C(C=CC(=N2)Br)N)C(=O)O)F

DOS

IR

Vibrations