Geometry & MOs

Info

ID:	65963
PubChem CID:	46484761
Reduced:	FSN3O6H18C20 (1)
Stoich.:	ABC3D6E18F20 (1)
Weight, g/mol:	462.137319
ΔH_f, kcal/mol:	-136.36
Dipole, Da:	12.4
IP(EA), eV:	-9.51(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[(2-fluoro-4-nitrophenoxy)methyl]-5-piperidin-1-ylsulfonylbenzimidazole

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])F

DOS

IR

Vibrations