Geometry & MOs

Info

ID:	36419
PubChem CID:	8006303
Reduced:	OSF3N5H12C17 (1)
Stoich.:	ABC3D5E12F17 (1)
Weight, g/mol:	397.126026
ΔH_f, kcal/mol:	-40.35
Dipole, Da:	5.71
IP(EA), eV:	-9.7(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@H](C#N)SC2=NN=NN2C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations