Geometry & MOs

Info

ID:	326811
PubChem CID:	126688245
Reduced:	BrClFN2O4H9C10 (1)
Stoich.:	ABCD2E4F9G10 (1)
Weight, g/mol:	478.162803
ΔH_f, kcal/mol:	-121.22
Dipole, Da:	6.72
IP(EA), eV:	-9.89(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-fluoro-2-methylpropyl)-5-(2-oxo-1,3-oxazinan-3-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1[N+](=O)[O-])F)Br)NC(=O)COCCCl

DOS

IR

Vibrations