Geometry & MOs

Info

ID:	379159
PubChem CID:	134355020
Reduced:	SN2F3O4C15H15 (1)
Stoich.:	AB2C3D4E15F15 (1)
Weight, g/mol:	344.080633
ΔH_f, kcal/mol:	-276.3
Dipole, Da:	6.35
IP(EA), eV:	-9.71(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-1-[1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-2-yl]ethanone

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC(=O)C1=NC=C(N1C)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations