Geometry & MOs

Info

ID:	157912
PubChem CID:	56458972
Reduced:	OF3N6H17C20 (1)
Stoich.:	AB3C6D17E20 (1)
Weight, g/mol:	486.166094
ΔH_f, kcal/mol:	-66.9
Dipole, Da:	5.81
IP(EA), eV:	-9.36(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CN(CC1=NC=CN1CC(F)(F)F)C(=O)C2=C3N=CC=C(N3N=C2)C4=CC=CC=C4

DOS

IR

Vibrations