Geometry & MOs

Info

ID:	60029
PubChem CID:	26665195
Reduced:	BrClFNO3H12C20 (1)
Stoich.:	ABCDE3F12G20 (1)
Weight, g/mol:	312.085855
ΔH_f, kcal/mol:	-97.1
Dipole, Da:	4.47
IP(EA), eV:	-8.71(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-nitrophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)F)Cl)Br

DOS

IR

Vibrations