Geometry & MOs

Info

ID:	16625
PubChem CID:	474024
Reduced:	OSCl2F3N3C16H16 (1)
Stoich.:	ABC2D3E3F16G16 (1)
Weight, g/mol:	425.034323
ΔH_f, kcal/mol:	-178.86
Dipole, Da:	2.33
IP(EA), eV:	-9.1(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methyl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

CC(C)C1=C(N(C(=N1)CNC(=O)C(F)(F)F)C)SC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations