Geometry & MOs

Info

ID:	132275
PubChem CID:	51334884
Reduced:	F3O3N5C14H14 (1)
Stoich.:	A3B3C5D14E14 (1)
Weight, g/mol:	373.107183
ΔH_f, kcal/mol:	-203.41
Dipole, Da:	3.33
IP(EA), eV:	-9.66(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-phenylsulfanylethyl)butanamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(CC(=O)NNC(=O)C2=CN=CC=C2)(C(F)(F)F)O

DOS

IR

Vibrations