Geometry & MOs

Info

ID:	156384
PubChem CID:	56370368
Reduced:	FSO3N4C20H25 (1)
Stoich.:	ABC3D4E20F25 (1)
Weight, g/mol:	418.16166
ΔH_f, kcal/mol:	-74.87
Dipole, Da:	8.2
IP(EA), eV:	-9.07(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethylbenzimidazol-2-yl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(O1)CN(C)CCCC2=CC(=NN2)C3=CC=C(C=C3)F

DOS

IR

Vibrations