Geometry & MOs

Info

ID:	314675
PubChem CID:	126622686
Reduced:	ClFN2O4H16C17 (1)
Stoich.:	ABC2D4E16F17 (1)
Weight, g/mol:	245.91955
ΔH_f, kcal/mol:	-185.9
Dipole, Da:	1.88
IP(EA), eV:	-9.13(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-chloro-1,3-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)NC1=CC=CC(=C1F)C2=CC=CC=C2Cl)OC(=O)N)O

DOS

IR

Vibrations