Geometry & MOs

Info

ID:	326841
PubChem CID:	126688383
Reduced:	N3O5C11H15 (1)
Stoich.:	A3B5C11D15 (1)
Weight, g/mol:	492.127897
ΔH_f, kcal/mol:	-48.3
Dipole, Da:	12.44
IP(EA), eV:	-9.68(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-N-[1-(2-methylsulfonylethyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(CCO)NC1=CC(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations