Geometry & MOs

Info

ID:	310111
PubChem CID:	126574490
Reduced:	SF3O3N6H15C16 (1)
Stoich.:	AB3C3D6E15F16 (1)
Weight, g/mol:	426.097346
ΔH_f, kcal/mol:	-167.36
Dipole, Da:	5.52
IP(EA), eV:	-10.35(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-ethylsulfonyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=C(C=C1)C(=O)NC)C2=NC3=CC(=NN=C3N2C)C(F)(F)F

DOS

IR

Vibrations