Geometry & MOs

Info

ID:	327263
PubChem CID:	126689361
Reduced:	FSN3O6C23H24 (1)
Stoich.:	ABC3D6E23F24 (1)
Weight, g/mol:	442.181647
ΔH_f, kcal/mol:	-132.45
Dipole, Da:	3.47
IP(EA), eV:	-9.44(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@@](CCN1C=NC2=C(C1=O)C=C(C(=C2)C#CC#CC3(CCC3)CO)F)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations