Geometry & MOs

Info

ID:	314792
PubChem CID:	126623172
Reduced:	BrFON4C11H14 (1)
Stoich.:	ABCD4E11F14 (1)
Weight, g/mol:	387.02165
ΔH_f, kcal/mol:	-61.85
Dipole, Da:	0.89
IP(EA), eV:	-9.38(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-[(6-bromopyridin-2-yl)carbamoyl]-1-carboxy-3-fluoropyrrolidin-3-yl]methylimino-iminoazanium

Drug info:

PubChemData

Smile

C1C(CNC1C(=O)N(CN)C2=NC(=CC=C2)Br)F

DOS

IR

Vibrations