Geometry & MOs

Info

ID:	326855
PubChem CID:	126688419
Reduced:	BrFN2O4H8C10 (1)
Stoich.:	ABC2D4E8F10 (1)
Weight, g/mol:	462.115104
ΔH_f, kcal/mol:	-98.61
Dipole, Da:	6.03
IP(EA), eV:	-10.07(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3-oxomorpholin-4-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1COCC(=O)N1C2=CC(=C(C=C2Br)F)[N+](=O)[O-]

DOS

IR

Vibrations